(R)-2,2'-Bis(bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphino)-1,1'-binaphthalene

Catalog Number	ACM705281181
CAS	705281-18-1
Structure
IUPAC Name	[1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane
Molecular Weight	1191.63
Molecular Formula	C80H104O4P2
InChI	CRELPJJGSLSRBO-UHFFFAOYSA-N
InChI Key	InChI=1S/C80H104O4P2/c1-73(2,3)57-41-51(42-58(69(57)81-25)74(4,5)6)85(52-43-59(75(7,8)9)70(82-26)60(44-52)76(10,11)12)65-39-37-49-33-29-31-35-55(49)67(65)68-56-36-32-30-34-50(56)38-40-66(68)86(53-45-61(77(13,14)15)71(83-27)62(46-53)78(16,17)18)54-47-63(79(19,20)21)72(84-28)64(48-54)80(22,23)24/h29-48H,1-28H3
Boiling Point	999.8±65.0 °C(Predicted)
Purity	97%
Isomeric SMILES	CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=C(C(=C6)C(C)(C)C)OC)C(C)(C)C)C7=CC(=C(C(=C7)C(C)(C)C)OC)C(C)(C)C)C8=CC(=C(C(=C8)C(C)(C)C)OC)C(C)(C)C

Q&A

What is the chemical formula of (R)-2,2'-Bis(bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphino)-1,1'-binaphthalene?

The chemical formula is C80H104O4P2.

What is the molecular weight of (R)-2,2'-Bis(bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphino)-1,1'-binaphthalene?

The molecular weight is 1191.6 g/mol.

How many hydrogen bond acceptor counts are present in (R)-2,2'-Bis(bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphino)-1,1'-binaphthalene?

There are 4 hydrogen bond acceptor counts.

What is the Canonical SMILES representation of (R)-2,2'-Bis(bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphino)-1,1'-binaphthalene?

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=C(C(=C6)C(C)(C)C)OC)C(C)(C)C)C7=CC(=C(C(=C7)C(C)(C)C)OC)C(C)(C)C)C8=CC(=C(C(=C8)C(C)(C)C)OC)C(C)(C)C

What is the InChI key of (R)-2,2'-Bis(bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphino)-1,1'-binaphthalene?

The InChI key is CRELPJJGSLSRBO-UHFFFAOYSA-N.

How many heavy atoms are present in (R)-2,2'-Bis(bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphino)-1,1'-binaphthalene?

There are 86 heavy atoms.

What is the Computed Properties XLogP3 value of (R)-2,2'-Bis(bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphino)-1,1'-binaphthalene?

The XLogP3 value is 24.7.

What is the exact mass of (R)-2,2'-Bis(bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphino)-1,1'-binaphthalene?

The exact mass is 1190.74098579.

How many rotatable bond counts are present in (R)-2,2'-Bis(bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphino)-1,1'-binaphthalene?

There are 19 rotatable bond counts.

What is the IUPAC name of (R)-2,2'-Bis(bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphino)-1,1'-binaphthalene?

[1-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane.