1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene

C63H50 — CID 158274717

IUPAC1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
SMILESCc1cccc(-c2ccc3ccccc3c2)c1.Cc1cccc(-c2cccc(-c3cccc(-c4ccc5ccccc5c4)c3)c2)c1.Cc1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C29H22.2C17H14/c1-21-7-4-10-23(17-21)25-11-5-12-26(19-25)27-13-6-14-28(20-27)29-16-15-22-8-2-3-9-24(22)18-29;1-13-6-4-9-15(12-13)17-11-5-8-14-7-2-3-10-16(14)17;1-13-5-4-8-15(11-13)17-10-9-14-6-2-3-7-16(14)12-17/h2-20H,1H3;2*2-12H,1H3
InChIKeyGJLSHUIEDONRFY-UHFFFAOYSA-N
MW807.09 g/mol
LogP17.78
Rot. Bonds5

About 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene

1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene (PubChem CID 158274717) has the molecular formula C63H50 and a molecular weight of 807.09 g/mol. Its IUPAC name is 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene.

Molecular Properties

Compound Name1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
PubChem CID158274717
Molecular FormulaC63H50
Molecular Weight807.09 g/mol
Exact Mass806.39
IUPAC Name1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
SMILESCc1cccc(-c2ccc3ccccc3c2)c1.Cc1cccc(-c2cccc(-c3cccc(-c4ccc5ccccc5c4)c3)c2)c1.Cc1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C29H22.2C17H14/c1-21-7-4-10-23(17-21)25-11-5-12-26(19-25)27-13-6-14-28(20-27)29-16-15-22-8-2-3-9-24(22)18-29;1-13-6-4-9-15(12-13)17-11-5-8-14-7-2-3-10-16(14)17;1-13-5-4-8-15(11-13)17-10-9-14-6-2-3-7-16(14)12-17/h2-20H,1H3;2*2-12H,1H3
InChIKeyGJLSHUIEDONRFY-UHFFFAOYSA-N
XLogP17.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.09
LogP ≤ 517.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene 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

1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 159203920
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
CID 157179117
bis(2-methylnaphthalene);2-methyl-6-phenylnaphthalene;6-methyl-1-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene
CID 159938437
9-methyl-10-phenylanthracene;1-[3-(3-methylphenyl)-5-naphthalen-1-ylphenyl]naphthalene;1-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]naphthalene;2-[3-(3-methylphenyl)-5-naphthalen-2-ylphenyl]naphthalene;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]naphthalene
CID 158361137
2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene
CID 161318804
1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;toluene
CID 158589771
1-[4-[3-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]naphthalene
CID 168844837
ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 157325912
1-[3-naphthalen-2-yl-5-[4-[4-(3-naphthalen-1-yl-5-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]naphthalene
CID 18710973
9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 157304390
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene?
The IUPAC name of 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene (CID 158274717) is 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene.
What is the SMILES notation for 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene?
The canonical SMILES for 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene is Cc1cccc(-c2ccc3ccccc3c2)c1.Cc1cccc(-c2cccc(-c3cccc(-c4ccc5ccccc5c4)c3)c2)c1.Cc1cccc(-c2cccc3ccccc23)c1.
What is the InChIKey of 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene?
The InChIKey is GJLSHUIEDONRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22.2C17H14/c1-21-7-4-10-23(17-21)25-11-5-12-26(19-25)27-13-6-14-28(20-27)29-16-15-22-8-2-3-9-24(22)18-29;1-13-6-4-9-15(12-13)17-11-5-8-14-7-2-3-10-16(14)17;1-13-5-4-8-15(11-13)17-10-9-14-6-2-3-7-16(14)12-17/h2-20H,1H3;2*2-12H,1H3.
What are the key properties of 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene?
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene has a molecular weight of 807.09 g/mol, XLogP of 17.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene is sourced from PubChem (CID 158274717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).