9-(3-methyl-5-phenylphenyl)phenanthrene

C27H20 — CID 156682596

IUPAC9-(3-methyl-5-phenylphenyl)phenanthrene
SMILESCc1cc(-c2ccccc2)cc(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C27H20/c1-19-15-22(20-9-3-2-4-10-20)17-23(16-19)27-18-21-11-5-6-12-24(21)25-13-7-8-14-26(25)27/h2-18H,1H3
InChIKeyYNJWDFOMQIUADO-UHFFFAOYSA-N
MW344.46 g/mol
LogP7.64
Rot. Bonds2

About 9-(3-methyl-5-phenylphenyl)phenanthrene

9-(3-methyl-5-phenylphenyl)phenanthrene (PubChem CID 156682596) has the molecular formula C27H20 and a molecular weight of 344.46 g/mol. Its IUPAC name is 9-(3-methyl-5-phenylphenyl)phenanthrene.

Molecular Properties

Compound Name9-(3-methyl-5-phenylphenyl)phenanthrene
PubChem CID156682596
Molecular FormulaC27H20
Molecular Weight344.46 g/mol
Exact Mass344.16
IUPAC Name9-(3-methyl-5-phenylphenyl)phenanthrene
SMILESCc1cc(-c2ccccc2)cc(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C27H20/c1-19-15-22(20-9-3-2-4-10-20)17-23(16-19)27-18-21-11-5-6-12-24(21)25-13-7-8-14-26(25)27/h2-18H,1H3
InChIKeyYNJWDFOMQIUADO-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 57.64
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-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene
CID 158279425
6-(3-methyl-5-phenanthren-9-ylphenyl)-12-[3-phenanthren-9-yl-5-(trifluoromethyl)phenyl]chrysene
CID 89296439
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine
CID 59428688
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
2,6-bis[3-(3-methylphenyl)phenyl]-4-phenylpyridine;2,4-bis(3-methylphenyl)-6-phenylpyridine;2,6-bis(3-methylphenyl)-4-phenylpyridine;2-(3-phenanthren-9-ylphenyl)-6-[6-(3-phenanthren-9-ylphenyl)-2-pyridinyl]pyridine;2,4,6-tris(3-methylphenyl)pyridine
CID 158324934
2-[3-(2,6-dimethyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 176622469
4-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-dimethylpyrimidine
CID 122431113
3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol
CID 89295941
2-[3-(1,5-dimethylpyridin-1-ium-3-yl)-5-phenanthren-9-ylphenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 176622503
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene
CID 59793052

Frequently Asked Questions

What is the IUPAC name of 9-(3-methyl-5-phenylphenyl)phenanthrene?
The IUPAC name of 9-(3-methyl-5-phenylphenyl)phenanthrene (CID 156682596) is 9-(3-methyl-5-phenylphenyl)phenanthrene.
What is the SMILES notation for 9-(3-methyl-5-phenylphenyl)phenanthrene?
The canonical SMILES for 9-(3-methyl-5-phenylphenyl)phenanthrene is Cc1cc(-c2ccccc2)cc(-c2cc3ccccc3c3ccccc23)c1.
What is the InChIKey of 9-(3-methyl-5-phenylphenyl)phenanthrene?
The InChIKey is YNJWDFOMQIUADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20/c1-19-15-22(20-9-3-2-4-10-20)17-23(16-19)27-18-21-11-5-6-12-24(21)25-13-7-8-14-26(25)27/h2-18H,1H3.
What are the key properties of 9-(3-methyl-5-phenylphenyl)phenanthrene?
9-(3-methyl-5-phenylphenyl)phenanthrene has a molecular weight of 344.46 g/mol, XLogP of 7.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methyl-5-phenylphenyl)phenanthrene is sourced from PubChem (CID 156682596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).