[4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane

C41H29OP — CID 11006296

IUPAC[4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane
SMILESCOc1ccc2ccc3ccccc3c2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccc3ccccc3c12
InChIInChI=1S/C41H29OP/c1-42-36-26-24-30-22-20-28-12-8-10-18-34(28)38(30)40(36)41-37(27-25-31-23-21-29-13-9-11-19-35(29)39(31)41)43(32-14-4-2-5-15-32)33-16-6-3-7-17-33/h2-27H,1H3
InChIKeyACCOCJJKZMNMSV-UHFFFAOYSA-N
MW568.66 g/mol
LogP9.73
Rot. Bonds5

About [4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane

[4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane (PubChem CID 11006296) has the molecular formula C41H29OP and a molecular weight of 568.66 g/mol. Its IUPAC name is [4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane.

Molecular Properties

Compound Name[4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane
PubChem CID11006296
Molecular FormulaC41H29OP
Molecular Weight568.66 g/mol
Exact Mass568.20
IUPAC Name[4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane
SMILESCOc1ccc2ccc3ccccc3c2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccc3ccccc3c12
InChIInChI=1S/C41H29OP/c1-42-36-26-24-30-22-20-28-12-8-10-18-34(28)38(30)40(36)41-37(27-25-31-23-21-29-13-9-11-19-35(29)39(31)41)43(32-14-4-2-5-15-32)33-16-6-3-7-17-33/h2-27H,1H3
InChIKeyACCOCJJKZMNMSV-UHFFFAOYSA-N
XLogP9.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.66
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane
CID 177405371
[1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane
CID 10462740
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
CID 134828499
methyl 3-[5-(2-diphenylphosphanylnaphthalen-1-yl)-6-methoxynaphthalen-2-yl]propanoate
CID 101349305
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium;dihydrobromide
CID 173284385
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
[5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 160884923
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
[2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane
CID 11490978

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane?
The IUPAC name of [4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane (CID 11006296) is [4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane.
What is the SMILES notation for [4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane?
The canonical SMILES for [4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane is COc1ccc2ccc3ccccc3c2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccc3ccccc3c12.
What is the InChIKey of [4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane?
The InChIKey is ACCOCJJKZMNMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29OP/c1-42-36-26-24-30-22-20-28-12-8-10-18-34(28)38(30)40(36)41-37(27-25-31-23-21-29-13-9-11-19-35(29)39(31)41)43(32-14-4-2-5-15-32)33-16-6-3-7-17-33/h2-27H,1H3.
What are the key properties of [4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane?
[4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane has a molecular weight of 568.66 g/mol, XLogP of 9.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane is sourced from PubChem (CID 11006296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).