dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane

C31H45P — CID 70670127

IUPACdicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane
SMILESCc1cc(C(C)C)cc(C(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H45P/c1-22(2)25-20-24(5)31(29(21-25)23(3)4)28-18-12-13-19-30(28)32(26-14-8-6-9-15-26)27-16-10-7-11-17-27/h12-13,18-23,26-27H,6-11,14-17H2,1-5H3
InChIKeyQWHUPBRAZNOSKZ-UHFFFAOYSA-N
MW448.68 g/mol
LogP9.68
Rot. Bonds6

About dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane

dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane (PubChem CID 70670127) has the molecular formula C31H45P and a molecular weight of 448.68 g/mol. Its IUPAC name is dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane
PubChem CID70670127
Molecular FormulaC31H45P
Molecular Weight448.68 g/mol
Exact Mass448.33
IUPAC Namedicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane
SMILESCc1cc(C(C)C)cc(C(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H45P/c1-22(2)25-20-24(5)31(29(21-25)23(3)4)28-18-12-13-19-30(28)32(26-14-8-6-9-15-26)27-16-10-7-11-17-27/h12-13,18-23,26-27H,6-11,14-17H2,1-5H3
InChIKeyQWHUPBRAZNOSKZ-UHFFFAOYSA-N
XLogP9.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.68
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane?
The IUPAC name of dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane (CID 70670127) is dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane?
The canonical SMILES for dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane is Cc1cc(C(C)C)cc(C(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane?
The InChIKey is QWHUPBRAZNOSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45P/c1-22(2)25-20-24(5)31(29(21-25)23(3)4)28-18-12-13-19-30(28)32(26-14-8-6-9-15-26)27-16-10-7-11-17-27/h12-13,18-23,26-27H,6-11,14-17H2,1-5H3.
What are the key properties of dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane?
dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane has a molecular weight of 448.68 g/mol, XLogP of 9.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane is sourced from PubChem (CID 70670127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).