dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane

C35H40NOP — CID 118474964

IUPACdicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane
SMILESCOc1cccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)c1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C35H40NOP/c1-37-34-24-14-23-33(35(34)38(29-19-10-4-11-20-29)30-21-12-5-13-22-30)36-31(27-15-6-2-7-16-27)25-26-32(36)28-17-8-3-9-18-28/h2-3,6-9,14-18,23-26,29-30H,4-5,10-13,19-22H2,1H3
InChIKeyBDVJHPPROZOLAM-UHFFFAOYSA-N
MW521.69 g/mol
LogP9.59
Rot. Bonds7

About dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane

dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane (PubChem CID 118474964) has the molecular formula C35H40NOP and a molecular weight of 521.69 g/mol. Its IUPAC name is dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane
PubChem CID118474964
Molecular FormulaC35H40NOP
Molecular Weight521.69 g/mol
Exact Mass521.28
IUPAC Namedicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane
SMILESCOc1cccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)c1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C35H40NOP/c1-37-34-24-14-23-33(35(34)38(29-19-10-4-11-20-29)30-21-12-5-13-22-30)36-31(27-15-6-2-7-16-27)25-26-32(36)28-17-8-3-9-18-28/h2-3,6-9,14-18,23-26,29-30H,4-5,10-13,19-22H2,1H3
InChIKeyBDVJHPPROZOLAM-UHFFFAOYSA-N
XLogP9.59
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.69
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane
CID 118474937
2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline
CID 71725627
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)
CID 71494531
CID 69466165
CID 69466165
dicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane
CID 70847876
[3,5-bis(2-methoxyphenyl)-2,6-di(propan-2-yl)phenyl]-dicyclohexylphosphane
CID 175808760
cyclohexyl-bis(2-methoxyphenyl)phosphane
CID 101492497
[4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol
CID 134464404
1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71566841
dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane
CID 20606210
(2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane
CID 118467175
2-dicyclohexylphosphanyl-3-(2,6-dimethoxyphenyl)benzenesulfonic acid;methane
CID 172858145

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane?
The IUPAC name of dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane (CID 118474964) is dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane?
The canonical SMILES for dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane is COc1cccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)c1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane?
The InChIKey is BDVJHPPROZOLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40NOP/c1-37-34-24-14-23-33(35(34)38(29-19-10-4-11-20-29)30-21-12-5-13-22-30)36-31(27-15-6-2-7-16-27)25-26-32(36)28-17-8-3-9-18-28/h2-3,6-9,14-18,23-26,29-30H,4-5,10-13,19-22H2,1H3.
What are the key properties of dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane?
dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane has a molecular weight of 521.69 g/mol, XLogP of 9.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane is sourced from PubChem (CID 118474964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).