dicyclohexyl-[2-(2-diphenylphosphanylbenzo[e][1]benzofuran-1-yl)phenyl]phosphane

C42H42OP2 — CID 127262815

IUPACdicyclohexyl-[2-(2-diphenylphosphanylbenzo[e][1]benzofuran-1-yl)phenyl]phosphane
SMILESc1ccc(P(c2ccccc2)c2oc3ccc4ccccc4c3c2-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C42H42OP2/c1-5-18-32(19-6-1)44(33-20-7-2-8-21-33)39-28-16-15-27-37(39)41-40-36-26-14-13-17-31(36)29-30-38(40)43-42(41)45(34-22-9-3-10-23-34)35-24-11-4-12-25-35/h3-4,9-17,22-30,32-33H,1-2,5-8,18-21H2
InChIKeyZVXJDKLGFSQVIL-UHFFFAOYSA-N
MW624.75 g/mol
LogP10.78
Rot. Bonds7

About dicyclohexyl-[2-(2-diphenylphosphanylbenzo[e][1]benzofuran-1-yl)phenyl]phosphane

dicyclohexyl-[2-(2-diphenylphosphanylbenzo[e][1]benzofuran-1-yl)phenyl]phosphane (PubChem CID 127262815) has the molecular formula C42H42OP2 and a molecular weight of 624.75 g/mol. Its IUPAC name is dicyclohexyl-[2-(2-diphenylphosphanylbenzo[e][1]benzofuran-1-yl)phenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-(2-diphenylphosphanylbenzo[e][1]benzofuran-1-yl)phenyl]phosphane
PubChem CID127262815
Molecular FormulaC42H42OP2
Molecular Weight624.75 g/mol
Exact Mass624.27
IUPAC Namedicyclohexyl-[2-(2-diphenylphosphanylbenzo[e][1]benzofuran-1-yl)phenyl]phosphane
SMILESc1ccc(P(c2ccccc2)c2oc3ccc4ccccc4c3c2-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C42H42OP2/c1-5-18-32(19-6-1)44(33-20-7-2-8-21-33)39-28-16-15-27-37(39)41-40-36-26-14-13-17-31(36)29-30-38(40)43-42(41)45(34-22-9-3-10-23-34)35-24-11-4-12-25-35/h3-4,9-17,22-30,32-33H,1-2,5-8,18-21H2
InChIKeyZVXJDKLGFSQVIL-UHFFFAOYSA-N
XLogP10.78
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.75
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dicyclohexyl-[2-(2-diphenylphosphanylbenzo[e][1]benzofuran-1-yl)phenyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-anthracen-9-ylphenyl)-dicyclohexylphosphane
CID 127262691
[2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 141479114
[2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 164886971
2,3-bis(2-dicyclohexylphosphanylphenyl)aniline
CID 87444825
[2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 141479117
2-(2-dicyclohexylphosphanylphenyl)phenol
CID 7015412
2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol
CID 102168017
2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol
CID 54254683
di(cyclobutyl)-[1-di(cyclobutyl)phosphanylnaphthalen-2-yl]phosphane
CID 90110048
[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane
CID 71503823
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)
CID 71494531
CID 69466165
CID 69466165

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-(2-diphenylphosphanylbenzo[e][1]benzofuran-1-yl)phenyl]phosphane?
The IUPAC name of dicyclohexyl-[2-(2-diphenylphosphanylbenzo[e][1]benzofuran-1-yl)phenyl]phosphane (CID 127262815) is dicyclohexyl-[2-(2-diphenylphosphanylbenzo[e][1]benzofuran-1-yl)phenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-(2-diphenylphosphanylbenzo[e][1]benzofuran-1-yl)phenyl]phosphane?
The canonical SMILES for dicyclohexyl-[2-(2-diphenylphosphanylbenzo[e][1]benzofuran-1-yl)phenyl]phosphane is c1ccc(P(c2ccccc2)c2oc3ccc4ccccc4c3c2-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of dicyclohexyl-[2-(2-diphenylphosphanylbenzo[e][1]benzofuran-1-yl)phenyl]phosphane?
The InChIKey is ZVXJDKLGFSQVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42OP2/c1-5-18-32(19-6-1)44(33-20-7-2-8-21-33)39-28-16-15-27-37(39)41-40-36-26-14-13-17-31(36)29-30-38(40)43-42(41)45(34-22-9-3-10-23-34)35-24-11-4-12-25-35/h3-4,9-17,22-30,32-33H,1-2,5-8,18-21H2.
What are the key properties of dicyclohexyl-[2-(2-diphenylphosphanylbenzo[e][1]benzofuran-1-yl)phenyl]phosphane?
dicyclohexyl-[2-(2-diphenylphosphanylbenzo[e][1]benzofuran-1-yl)phenyl]phosphane has a molecular weight of 624.75 g/mol, XLogP of 10.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2-diphenylphosphanylbenzo[e][1]benzofuran-1-yl)phenyl]phosphane is sourced from PubChem (CID 127262815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).