dicyclohexyl-(2-phenylindol-1-yl)phosphane

C26H32NP — CID 121235231

IUPACdicyclohexyl-(2-phenylindol-1-yl)phosphane
SMILESc1ccc(-c2cc3ccccc3n2P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C26H32NP/c1-4-12-21(13-5-1)26-20-22-14-10-11-19-25(22)27(26)28(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1,4-5,10-14,19-20,23-24H,2-3,6-9,15-18H2
InChIKeyMWRMENDXISNSQP-UHFFFAOYSA-N
MW389.52 g/mol
LogP8.22
Rot. Bonds4

About dicyclohexyl-(2-phenylindol-1-yl)phosphane

dicyclohexyl-(2-phenylindol-1-yl)phosphane (PubChem CID 121235231) has the molecular formula C26H32NP and a molecular weight of 389.52 g/mol. Its IUPAC name is dicyclohexyl-(2-phenylindol-1-yl)phosphane.

Molecular Properties

Compound Namedicyclohexyl-(2-phenylindol-1-yl)phosphane
PubChem CID121235231
Molecular FormulaC26H32NP
Molecular Weight389.52 g/mol
Exact Mass389.23
IUPAC Namedicyclohexyl-(2-phenylindol-1-yl)phosphane
SMILESc1ccc(-c2cc3ccccc3n2P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C26H32NP/c1-4-12-21(13-5-1)26-20-22-14-10-11-19-25(22)27(26)28(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1,4-5,10-14,19-20,23-24H,2-3,6-9,15-18H2
InChIKeyMWRMENDXISNSQP-UHFFFAOYSA-N
XLogP8.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 58.22
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-(2-phenylindol-1-yl)phosphane?
The IUPAC name of dicyclohexyl-(2-phenylindol-1-yl)phosphane (CID 121235231) is dicyclohexyl-(2-phenylindol-1-yl)phosphane.
What is the SMILES notation for dicyclohexyl-(2-phenylindol-1-yl)phosphane?
The canonical SMILES for dicyclohexyl-(2-phenylindol-1-yl)phosphane is c1ccc(-c2cc3ccccc3n2P(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of dicyclohexyl-(2-phenylindol-1-yl)phosphane?
The InChIKey is MWRMENDXISNSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32NP/c1-4-12-21(13-5-1)26-20-22-14-10-11-19-25(22)27(26)28(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1,4-5,10-14,19-20,23-24H,2-3,6-9,15-18H2.
What are the key properties of dicyclohexyl-(2-phenylindol-1-yl)phosphane?
dicyclohexyl-(2-phenylindol-1-yl)phosphane has a molecular weight of 389.52 g/mol, XLogP of 8.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(2-phenylindol-1-yl)phosphane is sourced from PubChem (CID 121235231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).