9-(4-methyl-2,5-diphenylphenyl)phenanthrene

C33H24 — CID 167535758

IUPAC9-(4-methyl-2,5-diphenylphenyl)phenanthrene
SMILESCc1cc(-c2ccccc2)c(-c2cc3ccccc3c3ccccc23)cc1-c1ccccc1
InChIInChI=1S/C33H24/c1-23-20-31(25-14-6-3-7-15-25)33(22-30(23)24-12-4-2-5-13-24)32-21-26-16-8-9-17-27(26)28-18-10-11-19-29(28)32/h2-22H,1H3
InChIKeyANRPBPKXYCKCIM-UHFFFAOYSA-N
MW420.56 g/mol
LogP9.30
Rot. Bonds3

About 9-(4-methyl-2,5-diphenylphenyl)phenanthrene

9-(4-methyl-2,5-diphenylphenyl)phenanthrene (PubChem CID 167535758) has the molecular formula C33H24 and a molecular weight of 420.56 g/mol. Its IUPAC name is 9-(4-methyl-2,5-diphenylphenyl)phenanthrene.

Molecular Properties

Compound Name9-(4-methyl-2,5-diphenylphenyl)phenanthrene
PubChem CID167535758
Molecular FormulaC33H24
Molecular Weight420.56 g/mol
Exact Mass420.19
IUPAC Name9-(4-methyl-2,5-diphenylphenyl)phenanthrene
SMILESCc1cc(-c2ccccc2)c(-c2cc3ccccc3c3ccccc23)cc1-c1ccccc1
InChIInChI=1S/C33H24/c1-23-20-31(25-14-6-3-7-15-25)33(22-30(23)24-12-4-2-5-13-24)32-21-26-16-8-9-17-27(26)28-18-10-11-19-29(28)32/h2-22H,1H3
InChIKeyANRPBPKXYCKCIM-UHFFFAOYSA-N
XLogP9.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(4-chloro-2,5-diphenylphenyl)phenanthrene
CID 170067041
1-phenanthren-9-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene
CID 59391009
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
9-(3-methyl-5-phenylphenyl)phenanthrene
CID 156682596
2-(3-phenanthren-9-yl-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 175324946
4-phenanthren-9-yl-N,3-diphenylaniline
CID 177300609
9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene
CID 58099808
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58895447
9-(3,6,9,9-tetramethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
CID 58905948
9-phenanthren-9-yl-2,7-bis(4-phenylnaphthalen-1-yl)phenanthrene
CID 59629319
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440

Frequently Asked Questions

What is the IUPAC name of 9-(4-methyl-2,5-diphenylphenyl)phenanthrene?
The IUPAC name of 9-(4-methyl-2,5-diphenylphenyl)phenanthrene (CID 167535758) is 9-(4-methyl-2,5-diphenylphenyl)phenanthrene.
What is the SMILES notation for 9-(4-methyl-2,5-diphenylphenyl)phenanthrene?
The canonical SMILES for 9-(4-methyl-2,5-diphenylphenyl)phenanthrene is Cc1cc(-c2ccccc2)c(-c2cc3ccccc3c3ccccc23)cc1-c1ccccc1.
What is the InChIKey of 9-(4-methyl-2,5-diphenylphenyl)phenanthrene?
The InChIKey is ANRPBPKXYCKCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24/c1-23-20-31(25-14-6-3-7-15-25)33(22-30(23)24-12-4-2-5-13-24)32-21-26-16-8-9-17-27(26)28-18-10-11-19-29(28)32/h2-22H,1H3.
What are the key properties of 9-(4-methyl-2,5-diphenylphenyl)phenanthrene?
9-(4-methyl-2,5-diphenylphenyl)phenanthrene has a molecular weight of 420.56 g/mol, XLogP of 9.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methyl-2,5-diphenylphenyl)phenanthrene is sourced from PubChem (CID 167535758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).