1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine

C117H96N6 — CID 157170679

IUPAC1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine
SMILESCc1cc(-c2ccccc2)cc(-c2ccc3ccccc3c2)c1.Cc1cc(-c2ccccc2)cc(-c2cccc3ccccc23)c1.Cc1cc(-c2ccncc2)cc(-c2ccncc2)c1.Cc1cc(-c2cncnc2)cc(-c2cncnc2)c1.Cc1ccc2cc(-c3ccccc3)ccc2c1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12
InChIInChI=1S/2C23H18.C17H14N2.C17H14.C15H12N4.2C11H10/c1-17-14-20(18-8-3-2-4-9-18)16-21(15-17)23-13-7-11-19-10-5-6-12-22(19)23;1-17-13-22(18-7-3-2-4-8-18)16-23(14-17)21-12-11-19-9-5-6-10-20(19)15-21;1-13-10-16(14-2-6-18-7-3-14)12-17(11-13)15-4-8-19-9-5-15;1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14;1-11-2-12(14-5-16-9-17-6-14)4-13(3-11)15-7-18-10-19-8-15;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h2*2-16H,1H3;2-12H,1H3;2-12H,1H3;2-10H,1H3;2*2-8H,1H3
InChIKeyANKRWGGKLPOADQ-UHFFFAOYSA-N
MW1586.10 g/mol
LogP31.10
Rot. Bonds9

About 1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine

1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine (PubChem CID 157170679) has the molecular formula C117H96N6 and a molecular weight of 1586.10 g/mol. Its IUPAC name is 1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine.

Molecular Properties

Compound Name1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine
PubChem CID157170679
Molecular FormulaC117H96N6
Molecular Weight1586.10 g/mol
Exact Mass1584.77
IUPAC Name1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine
SMILESCc1cc(-c2ccccc2)cc(-c2ccc3ccccc3c2)c1.Cc1cc(-c2ccccc2)cc(-c2cccc3ccccc23)c1.Cc1cc(-c2ccncc2)cc(-c2ccncc2)c1.Cc1cc(-c2cncnc2)cc(-c2cncnc2)c1.Cc1ccc2cc(-c3ccccc3)ccc2c1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12
InChIInChI=1S/2C23H18.C17H14N2.C17H14.C15H12N4.2C11H10/c1-17-14-20(18-8-3-2-4-9-18)16-21(15-17)23-13-7-11-19-10-5-6-12-22(19)23;1-17-13-22(18-7-3-2-4-8-18)16-23(14-17)21-12-11-19-9-5-6-10-20(19)15-21;1-13-10-16(14-2-6-18-7-3-14)12-17(11-13)15-4-8-19-9-5-15;1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14;1-11-2-12(14-5-16-9-17-6-14)4-13(3-11)15-7-18-10-19-8-15;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h2*2-16H,1H3;2-12H,1H3;2-12H,1H3;2-10H,1H3;2*2-8H,1H3
InChIKeyANKRWGGKLPOADQ-UHFFFAOYSA-N
XLogP31.10
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001586.10
LogP ≤ 531.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine with MolForge

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Related Compounds

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
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
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-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-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 159203920
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-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
CID 158886123
2-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162132064
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-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 158274717
1-methyl-3,5-diphenylbenzene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylnaphthalene
CID 157278644
9-naphthalen-2-yl-10-[3-naphthalen-2-yl-5-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-2-yl-10-(3-naphthalen-1-yl-5-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[3-[3-(3-naphthalen-2-ylphenyl)phenyl]-5-phenylphenyl]anthracene;9-naphthalen-2-yl-10-[3-phenyl-5-(6-phenylnaphthalen-2-yl)phenyl]anthracene
CID 158188509

Frequently Asked Questions

What is the IUPAC name of 1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine?
The IUPAC name of 1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine (CID 157170679) is 1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine.
What is the SMILES notation for 1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine?
The canonical SMILES for 1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine is Cc1cc(-c2ccccc2)cc(-c2ccc3ccccc3c2)c1.Cc1cc(-c2ccccc2)cc(-c2cccc3ccccc23)c1.Cc1cc(-c2ccncc2)cc(-c2ccncc2)c1.Cc1cc(-c2cncnc2)cc(-c2cncnc2)c1.Cc1ccc2cc(-c3ccccc3)ccc2c1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.
What is the InChIKey of 1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine?
The InChIKey is ANKRWGGKLPOADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H18.C17H14N2.C17H14.C15H12N4.2C11H10/c1-17-14-20(18-8-3-2-4-9-18)16-21(15-17)23-13-7-11-19-10-5-6-12-22(19)23;1-17-13-22(18-7-3-2-4-8-18)16-23(14-17)21-12-11-19-9-5-6-10-20(19)15-21;1-13-10-16(14-2-6-18-7-3-14)12-17(11-13)15-4-8-19-9-5-15;1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14;1-11-2-12(14-5-16-9-17-6-14)4-13(3-11)15-7-18-10-19-8-15;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h2*2-16H,1H3;2-12H,1H3;2-12H,1H3;2-10H,1H3;2*2-8H,1H3.
What are the key properties of 1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine?
1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine has a molecular weight of 1586.10 g/mol, XLogP of 31.10, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine is sourced from PubChem (CID 157170679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).