9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene

C28H22 — CID 159243819

IUPAC9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene
SMILESCc1ccc(-c2ccc(-c3c(C)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C28H22/c1-19-11-13-21(14-12-19)22-15-17-23(18-16-22)28-20(2)24-7-3-4-8-25(24)26-9-5-6-10-27(26)28/h3-18H,1-2H3
InChIKeyRIAPLKIWROYGBH-UHFFFAOYSA-N
MW358.48 g/mol
LogP7.94
Rot. Bonds2

About 9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene

9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene (PubChem CID 159243819) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene.

Molecular Properties

Compound Name9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene
PubChem CID159243819
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene
SMILESCc1ccc(-c2ccc(-c3c(C)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C28H22/c1-19-11-13-21(14-12-19)22-15-17-23(18-16-22)28-20(2)24-7-3-4-8-25(24)26-9-5-6-10-27(26)28/h3-18H,1-2H3
InChIKeyRIAPLKIWROYGBH-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.94
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-methyl-10-(4-methylphenyl)anthracene
CID 159479529
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-bromo-10-(4-methylphenyl)phenanthrene
CID 155481150
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161
9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
CID 58722434
9-[3,5-bis(4-methylphenyl)phenyl]-10-[10-[3,5-bis(4-methylphenyl)phenyl]anthracen-9-yl]anthracene
CID 123828708
9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene
CID 58151376
2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene
CID 143494695
9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene
CID 21043379
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164

Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene?
The IUPAC name of 9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene (CID 159243819) is 9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene.
What is the SMILES notation for 9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene?
The canonical SMILES for 9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene is Cc1ccc(-c2ccc(-c3c(C)c4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of 9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene?
The InChIKey is RIAPLKIWROYGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-19-11-13-21(14-12-19)22-15-17-23(18-16-22)28-20(2)24-7-3-4-8-25(24)26-9-5-6-10-27(26)28/h3-18H,1-2H3.
What are the key properties of 9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene?
9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene has a molecular weight of 358.48 g/mol, XLogP of 7.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene is sourced from PubChem (CID 159243819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).