2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene

C41H28 — CID 59793052

IUPAC2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene
SMILESCc1ccc2c(-c3cc4ccccc4c4ccccc34)c3ccccc3c(-c3cccc(-c4ccccc4)c3)c2c1
InChIInChI=1S/C41H28/c1-27-22-23-37-38(24-27)40(31-16-11-15-29(25-31)28-12-3-2-4-13-28)35-20-9-10-21-36(35)41(37)39-26-30-14-5-6-17-32(30)33-18-7-8-19-34(33)39/h2-26H,1H3
InChIKeyDXEQBTMLKGGORR-UHFFFAOYSA-N
MW520.68 g/mol
LogP11.61
Rot. Bonds3

About 2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene

2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene (PubChem CID 59793052) has the molecular formula C41H28 and a molecular weight of 520.68 g/mol. Its IUPAC name is 2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene.

Molecular Properties

Compound Name2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene
PubChem CID59793052
Molecular FormulaC41H28
Molecular Weight520.68 g/mol
Exact Mass520.22
IUPAC Name2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene
SMILESCc1ccc2c(-c3cc4ccccc4c4ccccc34)c3ccccc3c(-c3cccc(-c4ccccc4)c3)c2c1
InChIInChI=1S/C41H28/c1-27-22-23-37-38(24-27)40(31-16-11-15-29(25-31)28-12-3-2-4-13-28)35-20-9-10-21-36(35)41(37)39-26-30-14-5-6-17-32(30)33-18-7-8-19-34(33)39/h2-26H,1H3
InChIKeyDXEQBTMLKGGORR-UHFFFAOYSA-N
XLogP11.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene 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

2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene
CID 59856401
2,6-dimethyl-9-phenanthren-1-yl-10-(3-phenylphenyl)anthracene
CID 59718307
10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322788
2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
CID 156622206
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
[10-phenanthren-9-yl-9-(3-phenylphenyl)anthracen-2-yl]-phenylsilane
CID 137329432
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 176590384
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185

Frequently Asked Questions

What is the IUPAC name of 2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene?
The IUPAC name of 2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene (CID 59793052) is 2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene.
What is the SMILES notation for 2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene?
The canonical SMILES for 2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene is Cc1ccc2c(-c3cc4ccccc4c4ccccc34)c3ccccc3c(-c3cccc(-c4ccccc4)c3)c2c1.
What is the InChIKey of 2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene?
The InChIKey is DXEQBTMLKGGORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28/c1-27-22-23-37-38(24-27)40(31-16-11-15-29(25-31)28-12-3-2-4-13-28)35-20-9-10-21-36(35)41(37)39-26-30-14-5-6-17-32(30)33-18-7-8-19-34(33)39/h2-26H,1H3.
What are the key properties of 2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene?
2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene has a molecular weight of 520.68 g/mol, XLogP of 11.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene is sourced from PubChem (CID 59793052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).