dicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

C40H61OP — CID 162418915

IUPACdicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
SMILESCc1ccc(OC2CCCCC2)c(P(C2CCCCC2)C2CCCCC2)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C40H61OP/c1-27(2)31-25-35(28(3)4)39(36(26-31)29(5)6)38-30(7)23-24-37(41-32-17-11-8-12-18-32)40(38)42(33-19-13-9-14-20-33)34-21-15-10-16-22-34/h23-29,32-34H,8-22H2,1-7H3
InChIKeyDAFDGAGYELBYNE-UHFFFAOYSA-N
MW588.90 g/mol
LogP12.52
Rot. Bonds9

About dicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

dicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (PubChem CID 162418915) has the molecular formula C40H61OP and a molecular weight of 588.90 g/mol. Its IUPAC name is dicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
PubChem CID162418915
Molecular FormulaC40H61OP
Molecular Weight588.90 g/mol
Exact Mass588.45
IUPAC Namedicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
SMILESCc1ccc(OC2CCCCC2)c(P(C2CCCCC2)C2CCCCC2)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C40H61OP/c1-27(2)31-25-35(28(3)4)39(36(26-31)29(5)6)38-30(7)23-24-37(41-32-17-11-8-12-18-32)40(38)42(33-19-13-9-14-20-33)34-21-15-10-16-22-34/h23-29,32-34H,8-22H2,1-7H3
InChIKeyDAFDGAGYELBYNE-UHFFFAOYSA-N
XLogP12.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.90
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane
CID 75412135
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;ethane
CID 121225630
1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 62072498
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 174903912
[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane
CID 58112654
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine
CID 78937703
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane
CID 156775465

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The IUPAC name of dicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (CID 162418915) is dicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The canonical SMILES for dicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is Cc1ccc(OC2CCCCC2)c(P(C2CCCCC2)C2CCCCC2)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of dicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The InChIKey is DAFDGAGYELBYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H61OP/c1-27(2)31-25-35(28(3)4)39(36(26-31)29(5)6)38-30(7)23-24-37(41-32-17-11-8-12-18-32)40(38)42(33-19-13-9-14-20-33)34-21-15-10-16-22-34/h23-29,32-34H,8-22H2,1-7H3.
What are the key properties of dicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
dicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane has a molecular weight of 588.90 g/mol, XLogP of 12.52, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is sourced from PubChem (CID 162418915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).