2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine

C82H67N5 — CID 153458179

IUPAC2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine
SMILESCC1=C(C)N(c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6)c(C)cn5)cc4)cc(-c4ccccc4-c4ccc(N5CN(c6ccccc6)C(C)=C5C)cc4)c3)cc2)CN1c1ccccc1
InChIInChI=1S/C82H67N5/c1-56-53-83-82(52-81(56)66-35-33-62(34-36-66)61-21-9-6-10-22-61)67-39-37-63(38-40-67)75-27-15-18-30-78(75)68-49-69(79-31-19-16-28-76(79)64-41-45-73(46-42-64)86-54-84(57(2)59(86)4)71-23-11-7-12-24-71)51-70(50-68)80-32-20-17-29-77(80)65-43-47-74(48-44-65)87-55-85(58(3)60(87)5)72-25-13-8-14-26-72/h6-53H,54-55H2,1-5H3
InChIKeyNVGIRXNNXBKTSY-UHFFFAOYSA-N
MW1122.47 g/mol
LogP21.46
Rot. Bonds13

About 2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine

2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine (PubChem CID 153458179) has the molecular formula C82H67N5 and a molecular weight of 1122.47 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine
PubChem CID153458179
Molecular FormulaC82H67N5
Molecular Weight1122.47 g/mol
Exact Mass1121.54
IUPAC Name2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine
SMILESCC1=C(C)N(c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6)c(C)cn5)cc4)cc(-c4ccccc4-c4ccc(N5CN(c6ccccc6)C(C)=C5C)cc4)c3)cc2)CN1c1ccccc1
InChIInChI=1S/C82H67N5/c1-56-53-83-82(52-81(56)66-35-33-62(34-36-66)61-21-9-6-10-22-61)67-39-37-63(38-40-67)75-27-15-18-30-78(75)68-49-69(79-31-19-16-28-76(79)64-41-45-73(46-42-64)86-54-84(57(2)59(86)4)71-23-11-7-12-24-71)51-70(50-68)80-32-20-17-29-77(80)65-43-47-74(48-44-65)87-55-85(58(3)60(87)5)72-25-13-8-14-26-72/h6-53H,54-55H2,1-5H3
InChIKeyNVGIRXNNXBKTSY-UHFFFAOYSA-N
XLogP21.46
TPSA25.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001122.47
LogP ≤ 521.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048
5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
CID 122487855
4-(5-methyl-4-phenyl-2-pyridinyl)benzonitrile
CID 168821635
5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine
CID 10993350
2-[4-[2-[3-[2-[4-[4-(2,5-dimethyl-4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-(3-methyl-2-azaspiro[4.4]non-3-en-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-3-methyl-2-azaspiro[4.4]non-3-ene
CID 153458675
5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine
CID 140838981
2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
CID 134313368
iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
ethane;4-methyl-2-(4-methylphenyl)-5-phenylpyridine
CID 142296902
3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol
CID 140865175
2,5-dimethyl-4-phenylpyridine
CID 603086

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine (CID 153458179) is 2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine is CC1=C(C)N(c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6)c(C)cn5)cc4)cc(-c4ccccc4-c4ccc(N5CN(c6ccccc6)C(C)=C5C)cc4)c3)cc2)CN1c1ccccc1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine?
The InChIKey is NVGIRXNNXBKTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H67N5/c1-56-53-83-82(52-81(56)66-35-33-62(34-36-66)61-21-9-6-10-22-61)67-39-37-63(38-40-67)75-27-15-18-30-78(75)68-49-69(79-31-19-16-28-76(79)64-41-45-73(46-42-64)86-54-84(57(2)59(86)4)71-23-11-7-12-24-71)51-70(50-68)80-32-20-17-29-77(80)65-43-47-74(48-44-65)87-55-85(58(3)60(87)5)72-25-13-8-14-26-72/h6-53H,54-55H2,1-5H3.
What are the key properties of 2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine?
2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine has a molecular weight of 1122.47 g/mol, XLogP of 21.46, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-methyl-4-(4-phenylphenyl)pyridine is sourced from PubChem (CID 153458179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).