dicyclohexyl-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane

C35H45NP2 — CID 166775460

IUPACdicyclohexyl-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane
SMILESc1ccc(P(c2ccc(C3CCC(P(C4CCCCC4)C4CCCCC4)CC3)cc2)c2ccccn2)cc1
InChIInChI=1S/C35H45NP2/c1-4-12-30(13-5-1)37(31-14-6-2-7-15-31)33-23-19-28(20-24-33)29-21-25-34(26-22-29)38(32-16-8-3-9-17-32)35-18-10-11-27-36-35/h3,8-11,16-18,21-22,25-28,30-31,33H,1-2,4-7,12-15,19-20,23-24H2
InChIKeyRHTWPWFPLZRVBG-UHFFFAOYSA-N
MW541.70 g/mol
LogP9.01
Rot. Bonds7

About dicyclohexyl-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane

dicyclohexyl-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane (PubChem CID 166775460) has the molecular formula C35H45NP2 and a molecular weight of 541.70 g/mol. Its IUPAC name is dicyclohexyl-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane
PubChem CID166775460
Molecular FormulaC35H45NP2
Molecular Weight541.70 g/mol
Exact Mass541.30
IUPAC Namedicyclohexyl-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane
SMILESc1ccc(P(c2ccc(C3CCC(P(C4CCCCC4)C4CCCCC4)CC3)cc2)c2ccccn2)cc1
InChIInChI=1S/C35H45NP2/c1-4-12-30(13-5-1)37(31-14-6-2-7-15-31)33-23-19-28(20-24-33)29-21-25-34(26-22-29)38(32-16-8-3-9-17-32)35-18-10-11-27-36-35/h3,8-11,16-18,21-22,25-28,30-31,33H,1-2,4-7,12-15,19-20,23-24H2
InChIKeyRHTWPWFPLZRVBG-UHFFFAOYSA-N
XLogP9.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.70
LogP ≤ 59.01
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-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane?
The IUPAC name of dicyclohexyl-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane (CID 166775460) is dicyclohexyl-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane.
What is the SMILES notation for dicyclohexyl-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane?
The canonical SMILES for dicyclohexyl-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane is c1ccc(P(c2ccc(C3CCC(P(C4CCCCC4)C4CCCCC4)CC3)cc2)c2ccccn2)cc1.
What is the InChIKey of dicyclohexyl-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane?
The InChIKey is RHTWPWFPLZRVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45NP2/c1-4-12-30(13-5-1)37(31-14-6-2-7-15-31)33-23-19-28(20-24-33)29-21-25-34(26-22-29)38(32-16-8-3-9-17-32)35-18-10-11-27-36-35/h3,8-11,16-18,21-22,25-28,30-31,33H,1-2,4-7,12-15,19-20,23-24H2.
What are the key properties of dicyclohexyl-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane?
dicyclohexyl-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane has a molecular weight of 541.70 g/mol, XLogP of 9.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane is sourced from PubChem (CID 166775460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).