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Di-tert-butyl(2',4',6'-triisopropyl-3,4-dimethoxy-[1,1':3',1''-terphenyl]-2-yl)phosphine

Catalog Number ACM1668598193
CAS 1668598-19-3
Synonyms Ditert-butyl-[2,3-dimethoxy-6-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
IUPAC Name ditert-butyl-[2,3-dimethoxy-6-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
Molecular Weight 560.79
Molecular Formula C37H53O2P
InChI KKVWYNRETYTEQR-UHFFFAOYSA-N
InChI Key InChI=1S/C37H53O2P/c1-23(2)28-22-29(24(3)4)33(31(25(5)6)32(28)26-18-16-15-17-19-26)27-20-21-30(38-13)34(39-14)35(27)40(36(7,8)9)37(10,11)12/h15-25H,1-14H3
Purity 98%
Isomeric SMILES CC(C)C1=CC(=C(C(=C1C2=CC=CC=C2)C(C)C)C3=C(C(=C(C=C3)OC)OC)P(C(C)(C)C)C(C)(C)C)C(C)C
Q&A

What is the IUPAC name of Di-tert-butyl(2',4',6'-triisopropyl-3,4-dimethoxy-[1,1':3',1''-terphenyl]-2-yl)phosphine?

The IUPAC name of Di-tert-butyl(2',4',6'-triisopropyl-3,4-dimethoxy-[1,1':3',1''-terphenyl]-2-yl)phosphine is ditert-butyl-[2,3-dimethoxy-6-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.

What is the molecular formula of Di-tert-butyl(2',4',6'-triisopropyl-3,4-dimethoxy-[1,1':3',1''-terphenyl]-2-yl)phosphine?

The molecular formula is C37H53O2P.

What is the exact mass of Di-tert-butyl(2',4',6'-triisopropyl-3,4-dimethoxy-[1,1':3',1''-terphenyl]-2-yl)phosphine?

The exact mass is 560.37831793.

How many heavy atoms are present in Di-tert-butyl(2',4',6'-triisopropyl-3,4-dimethoxy-[1,1':3',1''-terphenyl]-2-yl)phosphine?

There are 40 heavy atoms present.

How many rotatable bonds are in Di-tert-butyl(2',4',6'-triisopropyl-3,4-dimethoxy-[1,1':3',1''-terphenyl]-2-yl)phosphine?

There are 10 rotatable bonds.

What is the canonical SMILES of Di-tert-butyl(2',4',6'-triisopropyl-3,4-dimethoxy-[1,1':3',1''-terphenyl]-2-yl)phosphine?

The canonical SMILES is CC(C)C1=CC(=C(C(=C1C2=CC=CC=C2)C(C)C)C3=C(C(=C(C=C3)OC)OC)P(C(C)(C)C)C(C)(C)C)C(C)C.

How many hydrogen bond acceptors are in Di-tert-butyl(2',4',6'-triisopropyl-3,4-dimethoxy-[1,1':3',1''-terphenyl]-2-yl)phosphine?

There are 2 hydrogen bond acceptors.

What is the computed properties complexity of Di-tert-butyl(2',4',6'-triisopropyl-3,4-dimethoxy-[1,1':3',1''-terphenyl]-2-yl)phosphine?

The complexity is 741.

What is the computed properties XLogP3 of Di-tert-butyl(2',4',6'-triisopropyl-3,4-dimethoxy-[1,1':3',1''-terphenyl]-2-yl)phosphine?

The XLogP3 is 10.

What is the InChI of Di-tert-butyl(2',4',6'-triisopropyl-3,4-dimethoxy-[1,1':3',1''-terphenyl]-2-yl)phosphine?

The InChI is InChI=1S/C37H53O2P/c1-23(2)28-22-29(24(3)4)33(31(25(5)6)32(28)26-18-16-15-17-19-26)27-20-21-30(38-13)34(39-14)35(27)40(36(7,8)9)37(10,11)12/h15-25H,1-14H3.

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