dicyclohexyl(indol-1-yl)phosphane

C20H28NP — CID 66644852

IUPACdicyclohexyl(indol-1-yl)phosphane
SMILESc1ccc2c(c1)ccn2P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H28NP/c1-3-10-18(11-4-1)22(19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)21/h7-9,14-16,18-19H,1-6,10-13H2
InChIKeyRIDKLESPBNWAHO-UHFFFAOYSA-N
MW313.42 g/mol
LogP6.55
Rot. Bonds3

About dicyclohexyl(indol-1-yl)phosphane

dicyclohexyl(indol-1-yl)phosphane (PubChem CID 66644852) has the molecular formula C20H28NP and a molecular weight of 313.42 g/mol. Its IUPAC name is dicyclohexyl(indol-1-yl)phosphane.

Molecular Properties

Compound Namedicyclohexyl(indol-1-yl)phosphane
PubChem CID66644852
Molecular FormulaC20H28NP
Molecular Weight313.42 g/mol
Exact Mass313.20
IUPAC Namedicyclohexyl(indol-1-yl)phosphane
SMILESc1ccc2c(c1)ccn2P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H28NP/c1-3-10-18(11-4-1)22(19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)21/h7-9,14-16,18-19H,1-6,10-13H2
InChIKeyRIDKLESPBNWAHO-UHFFFAOYSA-N
XLogP6.55
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.42
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl(indol-1-yl)phosphane?
The IUPAC name of dicyclohexyl(indol-1-yl)phosphane (CID 66644852) is dicyclohexyl(indol-1-yl)phosphane.
What is the SMILES notation for dicyclohexyl(indol-1-yl)phosphane?
The canonical SMILES for dicyclohexyl(indol-1-yl)phosphane is c1ccc2c(c1)ccn2P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl(indol-1-yl)phosphane?
The InChIKey is RIDKLESPBNWAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28NP/c1-3-10-18(11-4-1)22(19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)21/h7-9,14-16,18-19H,1-6,10-13H2.
What are the key properties of dicyclohexyl(indol-1-yl)phosphane?
dicyclohexyl(indol-1-yl)phosphane has a molecular weight of 313.42 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl(indol-1-yl)phosphane is sourced from PubChem (CID 66644852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).