2-methyl-9,10-bis(4-methylphenyl)phenanthrene

C29H24 — CID 102170161

IUPAC2-methyl-9,10-bis(4-methylphenyl)phenanthrene
SMILESCc1ccc(-c2c(-c3ccc(C)cc3)c3cc(C)ccc3c3ccccc23)cc1
InChIInChI=1S/C29H24/c1-19-8-13-22(14-9-19)28-26-7-5-4-6-24(26)25-17-12-21(3)18-27(25)29(28)23-15-10-20(2)11-16-23/h4-18H,1-3H3
InChIKeyILDVYROMNAMSLX-UHFFFAOYSA-N
MW372.51 g/mol
LogP8.25
Rot. Bonds2

About 2-methyl-9,10-bis(4-methylphenyl)phenanthrene

2-methyl-9,10-bis(4-methylphenyl)phenanthrene (PubChem CID 102170161) has the molecular formula C29H24 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-methyl-9,10-bis(4-methylphenyl)phenanthrene.

Molecular Properties

Compound Name2-methyl-9,10-bis(4-methylphenyl)phenanthrene
PubChem CID102170161
Molecular FormulaC29H24
Molecular Weight372.51 g/mol
Exact Mass372.19
IUPAC Name2-methyl-9,10-bis(4-methylphenyl)phenanthrene
SMILESCc1ccc(-c2c(-c3ccc(C)cc3)c3cc(C)ccc3c3ccccc23)cc1
InChIInChI=1S/C29H24/c1-19-8-13-22(14-9-19)28-26-7-5-4-6-24(26)25-17-12-21(3)18-27(25)29(28)23-15-10-20(2)11-16-23/h4-18H,1-3H3
InChIKeyILDVYROMNAMSLX-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 58.25
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-9,10-bis(4-methylphenyl)phenanthrene?
The IUPAC name of 2-methyl-9,10-bis(4-methylphenyl)phenanthrene (CID 102170161) is 2-methyl-9,10-bis(4-methylphenyl)phenanthrene.
What is the SMILES notation for 2-methyl-9,10-bis(4-methylphenyl)phenanthrene?
The canonical SMILES for 2-methyl-9,10-bis(4-methylphenyl)phenanthrene is Cc1ccc(-c2c(-c3ccc(C)cc3)c3cc(C)ccc3c3ccccc23)cc1.
What is the InChIKey of 2-methyl-9,10-bis(4-methylphenyl)phenanthrene?
The InChIKey is ILDVYROMNAMSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24/c1-19-8-13-22(14-9-19)28-26-7-5-4-6-24(26)25-17-12-21(3)18-27(25)29(28)23-15-10-20(2)11-16-23/h4-18H,1-3H3.
What are the key properties of 2-methyl-9,10-bis(4-methylphenyl)phenanthrene?
2-methyl-9,10-bis(4-methylphenyl)phenanthrene has a molecular weight of 372.51 g/mol, XLogP of 8.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9,10-bis(4-methylphenyl)phenanthrene is sourced from PubChem (CID 102170161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).