2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene

C78H67N3 — CID 158460536

IUPAC2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene
SMILESCc1cc(-c2ccccc2)c2nccc(-c3ccccc3)c2n1.Cc1cc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1ccc(-c2ccccc2)cc1.Cc1cccc(-c2ccccc2)c1.Cc1ccccc1-c1ccccc1
InChIInChI=1S/C21H16N2.C18H15N.3C13H12/c1-15-14-19(17-10-6-3-7-11-17)20-21(23-15)18(12-13-22-20)16-8-4-2-5-9-16;1-14-12-17(15-8-4-2-5-9-15)13-18(19-14)16-10-6-3-7-11-16;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-14H,1H3;2-13H,1H3;3*2-10H,1H3
InChIKeyHFCONYKWAFEHRQ-UHFFFAOYSA-N
MW1046.42 g/mol
LogP20.98
Rot. Bonds7

About 2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene

2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene (PubChem CID 158460536) has the molecular formula C78H67N3 and a molecular weight of 1046.42 g/mol. Its IUPAC name is 2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene.

Molecular Properties

Compound Name2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene
PubChem CID158460536
Molecular FormulaC78H67N3
Molecular Weight1046.42 g/mol
Exact Mass1045.53
IUPAC Name2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene
SMILESCc1cc(-c2ccccc2)c2nccc(-c3ccccc3)c2n1.Cc1cc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1ccc(-c2ccccc2)cc1.Cc1cccc(-c2ccccc2)c1.Cc1ccccc1-c1ccccc1
InChIInChI=1S/C21H16N2.C18H15N.3C13H12/c1-15-14-19(17-10-6-3-7-11-17)20-21(23-15)18(12-13-22-20)16-8-4-2-5-9-16;1-14-12-17(15-8-4-2-5-9-15)13-18(19-14)16-10-6-3-7-11-16;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-14H,1H3;2-13H,1H3;3*2-10H,1H3
InChIKeyHFCONYKWAFEHRQ-UHFFFAOYSA-N
XLogP20.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001046.42
LogP ≤ 520.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene with MolForge

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Related Compounds

4-[3,5-bis(3-methylphenyl)phenyl]-2,6-diphenylpyridine;4-[3-(3-methylphenyl)-5-(4-methylphenyl)phenyl]-2,6-diphenylpyridine
CID 91503423
1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene
CID 163934955
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
1-methyl-3,5-diphenylbenzene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylnaphthalene
CID 157278644
ethane;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-2-(4-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-3-(4-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene
CID 158292689
2-[3-[4-[3,5-bis[2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-methyl-4-pyridinyl]phenyl]-6-methyl-2-pyridinyl]phenyl]-4,6-diphenylpyridine;4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-2-[3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-phenylpyridine;2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4-[3-[2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
CID 160789301
1,3-bis(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-2-[4-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1,3-xylene
CID 158071150
1,4-bis[3-(4-methylphenyl)phenyl]-2,5-diphenylbenzene;1,3-bis[3-(3-methylphenyl)-5-phenylphenyl]-5-phenylbenzene;1-methyl-2-[3-[2-[2-[3-(2-methylphenyl)phenyl]phenyl]phenyl]phenyl]benzene;1-methyl-4-[3-[2-[2-[3-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]benzene;1-methyl-4-[3-[3-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]benzene;1-(3-methylphenyl)-3-[2-[2-[3-(3-methylphenyl)phenyl]phenyl]phenyl]benzene
CID 159620080
2-methyl-4,6-diphenylpyridine
CID 618669
4,7-bis(3,5-dimethylphenyl)-1,10-phenanthroline;4,7-bis(3-methylphenyl)-1,10-phenanthroline;4,7-bis(4-phenylphenyl)-1,10-phenanthroline;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-dimethyl-2,9-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne
CID 160937726
1-methyl-2-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-2-[3-(3-phenylphenyl)phenyl]benzene;1-methyl-2-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[2-(4-phenylphenyl)phenyl]benzene
CID 157433128
1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;ethane;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene
CID 158847391

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene?
The IUPAC name of 2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene (CID 158460536) is 2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene.
What is the SMILES notation for 2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene?
The canonical SMILES for 2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene is Cc1cc(-c2ccccc2)c2nccc(-c3ccccc3)c2n1.Cc1cc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1ccc(-c2ccccc2)cc1.Cc1cccc(-c2ccccc2)c1.Cc1ccccc1-c1ccccc1.
What is the InChIKey of 2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene?
The InChIKey is HFCONYKWAFEHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2.C18H15N.3C13H12/c1-15-14-19(17-10-6-3-7-11-17)20-21(23-15)18(12-13-22-20)16-8-4-2-5-9-16;1-14-12-17(15-8-4-2-5-9-15)13-18(19-14)16-10-6-3-7-11-16;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-14H,1H3;2-13H,1H3;3*2-10H,1H3.
What are the key properties of 2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene?
2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene has a molecular weight of 1046.42 g/mol, XLogP of 20.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,8-diphenyl-1,5-naphthyridine;2-methyl-4,6-diphenylpyridine;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene is sourced from PubChem (CID 158460536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).