[2-[1,3-bis(2-methylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane

C35H47N2P — CID 161312242

IUPAC[2-[1,3-bis(2-methylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane
SMILESCc1ccccc1N1C=CN(c2ccccc2C)C1=C1CCCCC1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C35H47N2P/c1-27-15-9-12-22-32(27)36-25-26-37(33-23-13-10-16-28(33)2)35(36)31-21-11-14-24-34(31)38(29-17-5-3-6-18-29)30-19-7-4-8-20-30/h9-10,12-13,15-16,22-23,25-26,29-30,34H,3-8,11,14,17-21,24H2,1-2H3
InChIKeyCWDZXJDXMQJTNE-UHFFFAOYSA-N
MW526.75 g/mol
LogP10.40
Rot. Bonds5

About [2-[1,3-bis(2-methylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane

[2-[1,3-bis(2-methylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane (PubChem CID 161312242) has the molecular formula C35H47N2P and a molecular weight of 526.75 g/mol. Its IUPAC name is [2-[1,3-bis(2-methylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane.

Molecular Properties

Compound Name[2-[1,3-bis(2-methylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane
PubChem CID161312242
Molecular FormulaC35H47N2P
Molecular Weight526.75 g/mol
Exact Mass526.35
IUPAC Name[2-[1,3-bis(2-methylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane
SMILESCc1ccccc1N1C=CN(c2ccccc2C)C1=C1CCCCC1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C35H47N2P/c1-27-15-9-12-22-32(27)36-25-26-37(33-23-13-10-16-28(33)2)35(36)31-21-11-14-24-34(31)38(29-17-5-3-6-18-29)30-19-7-4-8-20-30/h9-10,12-13,15-16,22-23,25-26,29-30,34H,3-8,11,14,17-21,24H2,1-2H3
InChIKeyCWDZXJDXMQJTNE-UHFFFAOYSA-N
XLogP10.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.75
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[1,3-bis(2-methylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane?
The IUPAC name of [2-[1,3-bis(2-methylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane (CID 161312242) is [2-[1,3-bis(2-methylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane.
What is the SMILES notation for [2-[1,3-bis(2-methylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane?
The canonical SMILES for [2-[1,3-bis(2-methylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane is Cc1ccccc1N1C=CN(c2ccccc2C)C1=C1CCCCC1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of [2-[1,3-bis(2-methylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane?
The InChIKey is CWDZXJDXMQJTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47N2P/c1-27-15-9-12-22-32(27)36-25-26-37(33-23-13-10-16-28(33)2)35(36)31-21-11-14-24-34(31)38(29-17-5-3-6-18-29)30-19-7-4-8-20-30/h9-10,12-13,15-16,22-23,25-26,29-30,34H,3-8,11,14,17-21,24H2,1-2H3.
What are the key properties of [2-[1,3-bis(2-methylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane?
[2-[1,3-bis(2-methylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane has a molecular weight of 526.75 g/mol, XLogP of 10.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1,3-bis(2-methylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane is sourced from PubChem (CID 161312242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).