9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene

C83H68 — CID 157493896

IUPAC9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene
SMILESCc1cc2ccccc2c2ccccc12.Cc1ccc(-c2ccc3ccccc3c2)cc1.Cc1ccc(-c2ccccc2)c2ccccc12.Cc1ccc2cc(-c3ccccc3)ccc2c1.Cc1cccc2c(-c3ccccc3)cccc12
InChIInChI=1S/4C17H14.C15H12/c1-13-7-5-12-17-15(13)10-6-11-16(17)14-8-3-2-4-9-14;1-13-11-12-16(14-7-3-2-4-8-14)17-10-6-5-9-15(13)17;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17;1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15/h4*2-12H,1H3;2-10H,1H3
InChIKeyBXPCWPDHENUELX-UHFFFAOYSA-N
MW1065.46 g/mol
LogP23.56
Rot. Bonds4

About 9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene

9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene (PubChem CID 157493896) has the molecular formula C83H68 and a molecular weight of 1065.46 g/mol. Its IUPAC name is 9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene.

Molecular Properties

Compound Name9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene
PubChem CID157493896
Molecular FormulaC83H68
Molecular Weight1065.46 g/mol
Exact Mass1064.53
IUPAC Name9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene
SMILESCc1cc2ccccc2c2ccccc12.Cc1ccc(-c2ccc3ccccc3c2)cc1.Cc1ccc(-c2ccccc2)c2ccccc12.Cc1ccc2cc(-c3ccccc3)ccc2c1.Cc1cccc2c(-c3ccccc3)cccc12
InChIInChI=1S/4C17H14.C15H12/c1-13-7-5-12-17-15(13)10-6-11-16(17)14-8-3-2-4-9-14;1-13-11-12-16(14-7-3-2-4-8-14)17-10-6-5-9-15(13)17;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17;1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15/h4*2-12H,1H3;2-10H,1H3
InChIKeyBXPCWPDHENUELX-UHFFFAOYSA-N
XLogP23.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.46
LogP ≤ 523.56
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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Related Compounds

2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
CID 158886123
1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 162103415
1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene
CID 160584062
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(3-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;2-methyl-6-(2-methylphenyl)naphthalene;2-methyl-6-(3-methylphenyl)naphthalene;2-methyl-6-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 157271950
1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene
CID 160790755
1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;3-methyl-1-phenylnaphthalene;6-methyl-1-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene
CID 162049934
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
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
1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene
CID 161461393
1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169275
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CID 159830422
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;bis(1-methylnaphthalene);bis(2-methylnaphthalene)
CID 159884884

Frequently Asked Questions

What is the IUPAC name of 9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene?
The IUPAC name of 9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene (CID 157493896) is 9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene.
What is the SMILES notation for 9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene?
The canonical SMILES for 9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene is Cc1cc2ccccc2c2ccccc12.Cc1ccc(-c2ccc3ccccc3c2)cc1.Cc1ccc(-c2ccccc2)c2ccccc12.Cc1ccc2cc(-c3ccccc3)ccc2c1.Cc1cccc2c(-c3ccccc3)cccc12.
What is the InChIKey of 9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene?
The InChIKey is BXPCWPDHENUELX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C17H14.C15H12/c1-13-7-5-12-17-15(13)10-6-11-16(17)14-8-3-2-4-9-14;1-13-11-12-16(14-7-3-2-4-8-14)17-10-6-5-9-15(13)17;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17;1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15/h4*2-12H,1H3;2-10H,1H3.
What are the key properties of 9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene?
9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene has a molecular weight of 1065.46 g/mol, XLogP of 23.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene is sourced from PubChem (CID 157493896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).