3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene

C38H34 — CID 140603460

IUPAC3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene
SMILESCc1ccc(C)c(-c2cc3ccccc3c(-c3c(C)c(-c4cc(C)ccc4C)cc4ccccc34)c2C)c1
InChIInChI=1S/C38H34/c1-23-15-17-25(3)33(19-23)35-21-29-11-7-9-13-31(29)37(27(35)5)38-28(6)36(22-30-12-8-10-14-32(30)38)34-20-24(2)16-18-26(34)4/h7-22H,1-6H3
InChIKeyHYKBKHDBBISXHQ-UHFFFAOYSA-N
MW490.69 g/mol
LogP10.84
Rot. Bonds3

About 3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene

3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene (PubChem CID 140603460) has the molecular formula C38H34 and a molecular weight of 490.69 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene
PubChem CID140603460
Molecular FormulaC38H34
Molecular Weight490.69 g/mol
Exact Mass490.27
IUPAC Name3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene
SMILESCc1ccc(C)c(-c2cc3ccccc3c(-c3c(C)c(-c4cc(C)ccc4C)cc4ccccc34)c2C)c1
InChIInChI=1S/C38H34/c1-23-15-17-25(3)33(19-23)35-21-29-11-7-9-13-31(29)37(27(35)5)38-28(6)36(22-30-12-8-10-14-32(30)38)34-20-24(2)16-18-26(34)4/h7-22H,1-6H3
InChIKeyHYKBKHDBBISXHQ-UHFFFAOYSA-N
XLogP10.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene 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-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene
CID 123673434
9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123956480
2-methyl-1-(3-methylnaphthalen-1-yl)naphthalene
CID 15148511
2-[3-anthracen-9-yl-5-(2,5-dimethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163629218
1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene
CID 143438669
5-methyl-2-(2-methylnaphthalen-1-yl)aniline
CID 82767076
10-(2,4-dimethylphenyl)-1,3-dimethylanthracene
CID 44551760
1-(2,5-dimethylphenyl)perylene
CID 173065408
9-(2,3-dimethylanthracen-9-yl)-2,3,6-trimethylanthracene
CID 123193685
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
2-(2,5-dimethylphenyl)naphthalene
CID 59648717
2-methyl-3-[2-methyl-5-(4-methylphenyl)phenyl]naphthalene
CID 144579052

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene?
The IUPAC name of 3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene (CID 140603460) is 3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene?
The canonical SMILES for 3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene is Cc1ccc(C)c(-c2cc3ccccc3c(-c3c(C)c(-c4cc(C)ccc4C)cc4ccccc34)c2C)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene?
The InChIKey is HYKBKHDBBISXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34/c1-23-15-17-25(3)33(19-23)35-21-29-11-7-9-13-31(29)37(27(35)5)38-28(6)36(22-30-12-8-10-14-32(30)38)34-20-24(2)16-18-26(34)4/h7-22H,1-6H3.
What are the key properties of 3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene?
3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene has a molecular weight of 490.69 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene is sourced from PubChem (CID 140603460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).