dicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane

C32H42NOP — CID 118474937

IUPACdicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane
SMILESCOc1cccc(-n2c3c(c4ccccc42)CCCCC3)c1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C32H42NOP/c1-34-31-23-13-22-30(32(31)35(24-14-5-2-6-15-24)25-16-7-3-8-17-25)33-28-20-10-4-9-18-26(28)27-19-11-12-21-29(27)33/h11-13,19,21-25H,2-10,14-18,20H2,1H3
InChIKeyAGSKPRIYHWETTJ-UHFFFAOYSA-N
MW487.67 g/mol
LogP8.68
Rot. Bonds5

About dicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane

dicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane (PubChem CID 118474937) has the molecular formula C32H42NOP and a molecular weight of 487.67 g/mol. Its IUPAC name is dicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane
PubChem CID118474937
Molecular FormulaC32H42NOP
Molecular Weight487.67 g/mol
Exact Mass487.30
IUPAC Namedicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane
SMILESCOc1cccc(-n2c3c(c4ccccc42)CCCCC3)c1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C32H42NOP/c1-34-31-23-13-22-30(32(31)35(24-14-5-2-6-15-24)25-16-7-3-8-17-25)33-28-20-10-4-9-18-26(28)27-19-11-12-21-29(27)33/h11-13,19,21-25H,2-10,14-18,20H2,1H3
InChIKeyAGSKPRIYHWETTJ-UHFFFAOYSA-N
XLogP8.68
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.67
LogP ≤ 58.68
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-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane
CID 118474964
2-dicyclohexylphosphanyl-3-methoxy-N-methyl-N-phenylaniline
CID 71725627
(2-carbazol-9-yl-6-methoxyphenyl)-methyl-phosphanylphosphane
CID 129309761
(2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane
CID 118467175
9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole
CID 170067507
[4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol
CID 134464404
9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole
CID 812920
9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole
CID 138526952
CID 69466165
CID 69466165
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)
CID 71494531
3-methoxy-2-[1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]benzoic acid
CID 177008901
4-(3,5-dimethylphenyl)-2,3-dihydro-1H-cyclopenta[b]indole
CID 58028341

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane?
The IUPAC name of dicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane (CID 118474937) is dicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane?
The canonical SMILES for dicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane is COc1cccc(-n2c3c(c4ccccc42)CCCCC3)c1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane?
The InChIKey is AGSKPRIYHWETTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42NOP/c1-34-31-23-13-22-30(32(31)35(24-14-5-2-6-15-24)25-16-7-3-8-17-25)33-28-20-10-4-9-18-26(28)27-19-11-12-21-29(27)33/h11-13,19,21-25H,2-10,14-18,20H2,1H3.
What are the key properties of dicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane?
dicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane has a molecular weight of 487.67 g/mol, XLogP of 8.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane is sourced from PubChem (CID 118474937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).