6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine

C52H37N — CID 135022048

IUPAC6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2)c(-c2cccc3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c23)n1
InChIInChI=1S/C52H37N/c1-36-35-45(37-21-8-2-9-22-37)47(39-25-12-4-13-26-39)52(53-36)44-34-20-33-43-46(38-23-10-3-11-24-38)48(40-27-14-5-15-28-40)49(41-29-16-6-17-30-41)50(51(43)44)42-31-18-7-19-32-42/h2-35H,1H3
InChIKeyKMDGYOCFQWUHBW-UHFFFAOYSA-N
MW675.88 g/mol
LogP14.21
Rot. Bonds7

About 6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine

6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine (PubChem CID 135022048) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is 6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine.

Molecular Properties

Compound Name6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine
PubChem CID135022048
Molecular FormulaC52H37N
Molecular Weight675.88 g/mol
Exact Mass675.29
IUPAC Name6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2)c(-c2cccc3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c23)n1
InChIInChI=1S/C52H37N/c1-36-35-45(37-21-8-2-9-22-37)47(39-25-12-4-13-26-39)52(53-36)44-34-20-33-43-46(38-23-10-3-11-24-38)48(40-27-14-5-15-28-40)49(41-29-16-6-17-30-41)50(51(43)44)42-31-18-7-19-32-42/h2-35H,1H3
InChIKeyKMDGYOCFQWUHBW-UHFFFAOYSA-N
XLogP14.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.88
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol
CID 136677880
4-(4-bromophenyl)-6-methyl-2,3-diphenylpyridine
CID 134944928
2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine
CID 87436583
8-methyl-7,12-diphenylbenzo[k]fluoranthene
CID 154225816
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene
CID 162426849
N-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 140943835
N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline
CID 162082403
6-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,3,4-triphenylpyridine
CID 170003415
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
8-methoxy-7,12-diphenylbenzo[k]fluoranthene
CID 151612057

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine?
The IUPAC name of 6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine (CID 135022048) is 6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine.
What is the SMILES notation for 6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine?
The canonical SMILES for 6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine is Cc1cc(-c2ccccc2)c(-c2ccccc2)c(-c2cccc3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c23)n1.
What is the InChIKey of 6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine?
The InChIKey is KMDGYOCFQWUHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-36-35-45(37-21-8-2-9-22-37)47(39-25-12-4-13-26-39)52(53-36)44-34-20-33-43-46(38-23-10-3-11-24-38)48(40-27-14-5-15-28-40)49(41-29-16-6-17-30-41)50(51(43)44)42-31-18-7-19-32-42/h2-35H,1H3.
What are the key properties of 6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine?
6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine has a molecular weight of 675.88 g/mol, XLogP of 14.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine is sourced from PubChem (CID 135022048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).