9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene

C35H26FOP — CID 88535839

IUPAC9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene
SMILESO=P(c1cccc(CF)c1)(c1cc2c(c3ccccc13)CCC=C2)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C35H26FOP/c36-23-24-10-9-13-27(20-24)38(37,34-21-25-11-1-3-14-28(25)30-16-5-7-18-32(30)34)35-22-26-12-2-4-15-29(26)31-17-6-8-19-33(31)35/h1-3,5-14,16-22H,4,15,23H2
InChIKeyIIMBWNCAQSGFMF-UHFFFAOYSA-N
MW512.56 g/mol
LogP8.21
Rot. Bonds4

About 9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene

9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene (PubChem CID 88535839) has the molecular formula C35H26FOP and a molecular weight of 512.56 g/mol. Its IUPAC name is 9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene.

Molecular Properties

Compound Name9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene
PubChem CID88535839
Molecular FormulaC35H26FOP
Molecular Weight512.56 g/mol
Exact Mass512.17
IUPAC Name9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene
SMILESO=P(c1cccc(CF)c1)(c1cc2c(c3ccccc13)CCC=C2)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C35H26FOP/c36-23-24-10-9-13-27(20-24)38(37,34-21-25-11-1-3-14-28(25)30-16-5-7-18-32(30)34)35-22-26-12-2-4-15-29(26)31-17-6-8-19-33(31)35/h1-3,5-14,16-22H,4,15,23H2
InChIKeyIIMBWNCAQSGFMF-UHFFFAOYSA-N
XLogP8.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.56
LogP ≤ 58.21
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'}

Analyze 9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene 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

9-bis(2-fluorophenyl)phosphorylphenanthrene
CID 88865071
9-bis(2,3,4,5,6-pentafluorophenyl)phosphorylphenanthrene
CID 88865047
1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 88865123
1-[(3,5-difluorophenyl)-phenanthren-1-ylphosphoryl]phenanthrene
CID 137366974
N'-[C-(3,4-dihydrophenanthren-9-yl)-N-(phenanthren-9-ylmethyl)carbonimidoyl]-11-(5,10-dihydrophenazin-1-yl)-N-methylideneindolo[2,3-a]carbazole-12-carboximidamide
CID 145162491
9-bis(2,4,6-trifluorophenyl)phosphorylphenanthrene
CID 88865063
9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 152841086
9-[(2,4-difluorophenyl)-phenanthren-9-ylphosphoryl]phenanthrene
CID 88865040
3-diphenylphosphorylphenanthrene
CID 170944174
1,2-dihydroanthracen-9-ylmethyl N,N-diethylcarbamate
CID 90378687
1-diphenylphosphorylnaphthalene
CID 11023927
6-nitro-3,4-dihydrochrysene
CID 15509514

Frequently Asked Questions

What is the IUPAC name of 9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene?
The IUPAC name of 9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene (CID 88535839) is 9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene.
What is the SMILES notation for 9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene?
The canonical SMILES for 9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene is O=P(c1cccc(CF)c1)(c1cc2c(c3ccccc13)CCC=C2)c1cc2ccccc2c2ccccc12.
What is the InChIKey of 9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene?
The InChIKey is IIMBWNCAQSGFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26FOP/c36-23-24-10-9-13-27(20-24)38(37,34-21-25-11-1-3-14-28(25)30-16-5-7-18-32(30)34)35-22-26-12-2-4-15-29(26)31-17-6-8-19-33(31)35/h1-3,5-14,16-22H,4,15,23H2.
What are the key properties of 9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene?
9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene has a molecular weight of 512.56 g/mol, XLogP of 8.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,4-dihydrophenanthren-9-yl-[3-(fluoromethyl)phenyl]phosphoryl]phenanthrene is sourced from PubChem (CID 88535839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).