dicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane

C37H49P — CID 166514604

IUPACdicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane
SMILESCc1cccc(-c2cc(C(C)C)c(-c3ccccc3P(C3CCCCC3)C3CCCCC3)c(C(C)C)c2)c1
InChIInChI=1S/C37H49P/c1-26(2)34-24-30(29-16-14-15-28(5)23-29)25-35(27(3)4)37(34)33-21-12-13-22-36(33)38(31-17-8-6-9-18-31)32-19-10-7-11-20-32/h12-16,21-27,31-32H,6-11,17-20H2,1-5H3
InChIKeyATLGZNNDQJRWER-UHFFFAOYSA-N
MW524.77 g/mol
LogP11.35
Rot. Bonds7

About dicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane

dicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane (PubChem CID 166514604) has the molecular formula C37H49P and a molecular weight of 524.77 g/mol. Its IUPAC name is dicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane
PubChem CID166514604
Molecular FormulaC37H49P
Molecular Weight524.77 g/mol
Exact Mass524.36
IUPAC Namedicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane
SMILESCc1cccc(-c2cc(C(C)C)c(-c3ccccc3P(C3CCCCC3)C3CCCCC3)c(C(C)C)c2)c1
InChIInChI=1S/C37H49P/c1-26(2)34-24-30(29-16-14-15-28(5)23-29)25-35(27(3)4)37(34)33-21-12-13-22-36(33)38(31-17-8-6-9-18-31)32-19-10-7-11-20-32/h12-16,21-27,31-32H,6-11,17-20H2,1-5H3
InChIKeyATLGZNNDQJRWER-UHFFFAOYSA-N
XLogP11.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.77
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 141479114
dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane
CID 121225630
[2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 141479117
dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane
CID 70670127
dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;palladium(2+);diacetate
CID 86647063
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 174903912
ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;dicyclohexyl-(2-methyl-3-phenylphenyl)phosphane
CID 87094403
azane;dicyclohexyl-(2-phenylphenyl)phosphane
CID 86613582
(2-anthracen-9-ylphenyl)-dicyclohexylphosphane
CID 127262691
2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol
CID 54254683
CID 69466165
CID 69466165
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)
CID 71494531

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane?
The IUPAC name of dicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane (CID 166514604) is dicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane?
The canonical SMILES for dicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane is Cc1cccc(-c2cc(C(C)C)c(-c3ccccc3P(C3CCCCC3)C3CCCCC3)c(C(C)C)c2)c1.
What is the InChIKey of dicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane?
The InChIKey is ATLGZNNDQJRWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H49P/c1-26(2)34-24-30(29-16-14-15-28(5)23-29)25-35(27(3)4)37(34)33-21-12-13-22-36(33)38(31-17-8-6-9-18-31)32-19-10-7-11-20-32/h12-16,21-27,31-32H,6-11,17-20H2,1-5H3.
What are the key properties of dicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane?
dicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane has a molecular weight of 524.77 g/mol, XLogP of 11.35, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane is sourced from PubChem (CID 166514604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).