9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene

C32H25OP — CID 140947012

IUPAC9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene
SMILESCP(C)(=O)c1cccc(-c2ccc(-c3cc4ccccc4c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C32H25OP/c1-34(2,33)24-12-9-11-22(20-24)26-18-19-31(29-16-7-5-15-28(26)29)32-21-23-10-3-4-13-25(23)27-14-6-8-17-30(27)32/h3-21H,1-2H3
InChIKeyBKEPKOHMPBNNLE-UHFFFAOYSA-N
MW456.53 g/mol
LogP8.73
Rot. Bonds3

About 9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene

9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene (PubChem CID 140947012) has the molecular formula C32H25OP and a molecular weight of 456.53 g/mol. Its IUPAC name is 9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene.

Molecular Properties

Compound Name9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene
PubChem CID140947012
Molecular FormulaC32H25OP
Molecular Weight456.53 g/mol
Exact Mass456.16
IUPAC Name9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene
SMILESCP(C)(=O)c1cccc(-c2ccc(-c3cc4ccccc4c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C32H25OP/c1-34(2,33)24-12-9-11-22(20-24)26-18-19-31(29-16-7-5-15-28(26)29)32-21-23-10-3-4-13-25(23)27-14-6-8-17-30(27)32/h3-21H,1-2H3
InChIKeyBKEPKOHMPBNNLE-UHFFFAOYSA-N
XLogP8.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.53
LogP ≤ 58.73
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

9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene
CID 129164109
2,9,10-tris(3-dimethylphosphorylphenyl)anthracene
CID 142477663
1-phenanthren-9-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene
CID 59391009
2-[3-(3-diethylphosphorylphenyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 174221177
9-naphthalen-1-ylphenanthrene
CID 20606742
9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene
CID 59629319
6-phenanthren-9-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 169007580
4-[3-(3-dimethylphosphorylphenyl)phenyl]spiro[benzo[b]fluorene-11,9'-fluorene]
CID 155239128
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene
CID 58881017
4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran
CID 129164010

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene?
The IUPAC name of 9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene (CID 140947012) is 9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene.
What is the SMILES notation for 9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene?
The canonical SMILES for 9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene is CP(C)(=O)c1cccc(-c2ccc(-c3cc4ccccc4c4ccccc34)c3ccccc23)c1.
What is the InChIKey of 9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene?
The InChIKey is BKEPKOHMPBNNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25OP/c1-34(2,33)24-12-9-11-22(20-24)26-18-19-31(29-16-7-5-15-28(26)29)32-21-23-10-3-4-13-25(23)27-14-6-8-17-30(27)32/h3-21H,1-2H3.
What are the key properties of 9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene?
9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene has a molecular weight of 456.53 g/mol, XLogP of 8.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene is sourced from PubChem (CID 140947012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).