1-(Dicyclohexylphosphino)-2-(2-methoxyphenyl)-1H-indole

Catalog Number	ACM947402600-2
CAS	947402-60-0
Synonyms	N-(Dicyclohexylphosphino)-2-(2'-methoxyphenyl)indole; Dicyclohexyl-[2-(2-methoxyphenyl)indol-1-yl]phosphane
IUPAC Name	dicyclohexyl-[2-(2-methoxyphenyl)indol-1-yl]phosphane
Molecular Weight	419.54
Molecular Formula	C27H34NOP
InChI	CVYNBXIELBXSRJ-UHFFFAOYSA-N
InChI Key	InChI=1S/C27H34NOP/c1-29-27-19-11-9-17-24(27)26-20-21-12-8-10-18-25(21)28(26)30(22-13-4-2-5-14-22)23-15-6-3-7-16-23/h8-12,17-20,22-23H,2-7,13-16H2,1H3
Boiling Point	561.5±42.0 °C(Predicted)
Melting Point	131.1-132.5 °C
Purity	95%
Appearance	Solid
Isomeric SMILES	COC1=CC=CC=C1C2=CC3=CC=CC=C3N2P(C4CCCCC4)C5CCCCC5

Q&A

What is the CAS number of the compound N-(Dicyclohexylphosphino)-2-(2-methoxyphenyl)indole?

The CAS number is 947402-60-0.

What is the molecular weight of N-(Dicyclohexylphosphino)-2-(2-methoxyphenyl)indole?

The molecular weight is 419.5g/mol.

How many heavy atoms are present in the compound?

There are 30 heavy atoms present.

What is the exact mass of N-(Dicyclohexylphosphino)-2-(2-methoxyphenyl)indole?

The exact mass is 419.23780171.

Can you provide the Canonical SMILES for the compound?

The Canonical SMILES is COC1=CC=CC=C1C2=CC3=CC=CC=C3N2P(C4CCCCC4)C5CCCCC5.

How many rotatable bonds are present in the compound?

There are 5 rotatable bonds present.

What is the InChIKey of N-(Dicyclohexylphosphino)-2-(2-methoxyphenyl)indole?

The InChIKey is CVYNBXIELBXSRJ-UHFFFAOYSA-N.

What is the Computed Properties XLogP3 value for the compound?

The XLogP3 value is 7.3.

Can you provide any Depositor-Supplied Synonyms for N-(Dicyclohexylphosphino)-2-(2-methoxyphenyl)indole?

Some synonyms include 1-(Dicyclohexylphosphino)-2-(2-methoxyphenyl)-1H-indole and SCHEMBL10295989.

What is the IUPAC Name of the compound?

The IUPAC Name is dicyclohexyl-[2-(2-methoxyphenyl)indol-1-yl]phosphane.