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

C82H66 — CID 159203920

IUPAC1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
SMILESCc1cccc(-c2ccc3ccccc3c2)c1.Cc1cccc(-c2cccc(-c3cccc(-c4ccc5ccccc5c4)c3)c2)c1.Cc1cccc(-c2cccc3ccccc23)c1.Cc1ccccc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C29H22.C19H16.2C17H14/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;1-15-8-5-6-13-19(15)18-12-7-11-17(14-18)16-9-3-2-4-10-16;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;2-14H,1H3;2*2-12H,1H3
InChIKeyKPQDAGYZDKXRKQ-UHFFFAOYSA-N
MW1051.43 g/mol
LogP23.11
Rot. Bonds7

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

1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene (PubChem CID 159203920) has the molecular formula C82H66 and a molecular weight of 1051.43 g/mol. Its IUPAC name is 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene.

Molecular Properties

Compound Name1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
PubChem CID159203920
Molecular FormulaC82H66
Molecular Weight1051.43 g/mol
Exact Mass1050.52
IUPAC Name1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
SMILESCc1cccc(-c2ccc3ccccc3c2)c1.Cc1cccc(-c2cccc(-c3cccc(-c4ccc5ccccc5c4)c3)c2)c1.Cc1cccc(-c2cccc3ccccc23)c1.Cc1ccccc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C29H22.C19H16.2C17H14/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;1-15-8-5-6-13-19(15)18-12-7-11-17(14-18)16-9-3-2-4-10-16;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;2-14H,1H3;2*2-12H,1H3
InChIKeyKPQDAGYZDKXRKQ-UHFFFAOYSA-N
XLogP23.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001051.43
LogP ≤ 523.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 158274717
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-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene
CID 160584062
ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene
CID 162048373
1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
CID 157179117
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
2-methyl-9,9-diphenylfluorene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene
CID 158548033
1-methyl-3,5-diphenylbenzene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylnaphthalene
CID 157278644
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
ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene
CID 159021382
1-[4-[3-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]naphthalene
CID 168844837

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene?
The IUPAC name of 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene (CID 159203920) is 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene.
What is the SMILES notation for 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene?
The canonical SMILES for 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene is Cc1cccc(-c2ccc3ccccc3c2)c1.Cc1cccc(-c2cccc(-c3cccc(-c4ccc5ccccc5c4)c3)c2)c1.Cc1cccc(-c2cccc3ccccc23)c1.Cc1ccccc1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene?
The InChIKey is KPQDAGYZDKXRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22.C19H16.2C17H14/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;1-15-8-5-6-13-19(15)18-12-7-11-17(14-18)16-9-3-2-4-10-16;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;2-14H,1H3;2*2-12H,1H3.
What are the key properties of 1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene?
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene has a molecular weight of 1051.43 g/mol, XLogP of 23.11, 7 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;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene is sourced from PubChem (CID 159203920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).