2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile

C128H90N8 — CID 134302051

IUPAC2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2cc(-c4cc(-c5cccc(C)c5)cc5c4c4ccc(-c6cccc(C)c6)cc4n5-c4cc(C#N)c(-n5c6cc(-c7cccc(C)c7)ccc6c6ccc(-c7cccc(C)c7)cc65)cc4-c4cc(C)nc(C)c4)ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c(-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)cc2C#N)c1
InChIInChI=1S/C128H90N8/c1-77-23-17-33-87(53-77)93-44-50-117-111(61-93)104-39-15-16-40-116(104)134(117)125-71-102(75-129)120(74-109(125)101-65-114(85-29-11-9-12-30-85)132-115(66-101)86-31-13-10-14-32-86)133-118-51-45-94(88-34-18-24-78(2)54-88)62-112(118)113-63-98(46-52-119(113)133)110-64-99(92-38-22-28-82(6)58-92)70-127-128(110)107-49-43-97(91-37-21-27-81(5)57-91)69-124(107)136(127)126-72-103(76-130)121(73-108(126)100-59-83(7)131-84(8)60-100)135-122-67-95(89-35-19-25-79(3)55-89)41-47-105(122)106-48-42-96(68-123(106)135)90-36-20-26-80(4)56-90/h9-74H,1-8H3
InChIKeyYETDWPXKZFEHKO-UHFFFAOYSA-N
MW1740.18 g/mol
LogP33.41
Rot. Bonds15

About 2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile

2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile (PubChem CID 134302051) has the molecular formula C128H90N8 and a molecular weight of 1740.18 g/mol. Its IUPAC name is 2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile
PubChem CID134302051
Molecular FormulaC128H90N8
Molecular Weight1740.18 g/mol
Exact Mass1738.73
IUPAC Name2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2cc(-c4cc(-c5cccc(C)c5)cc5c4c4ccc(-c6cccc(C)c6)cc4n5-c4cc(C#N)c(-n5c6cc(-c7cccc(C)c7)ccc6c6ccc(-c7cccc(C)c7)cc65)cc4-c4cc(C)nc(C)c4)ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c(-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)cc2C#N)c1
InChIInChI=1S/C128H90N8/c1-77-23-17-33-87(53-77)93-44-50-117-111(61-93)104-39-15-16-40-116(104)134(117)125-71-102(75-129)120(74-109(125)101-65-114(85-29-11-9-12-30-85)132-115(66-101)86-31-13-10-14-32-86)133-118-51-45-94(88-34-18-24-78(2)54-88)62-112(118)113-63-98(46-52-119(113)133)110-64-99(92-38-22-28-82(6)58-92)70-127-128(110)107-49-43-97(91-37-21-27-81(5)57-91)69-124(107)136(127)126-72-103(76-130)121(73-108(126)100-59-83(7)131-84(8)60-100)135-122-67-95(89-35-19-25-79(3)55-89)41-47-105(122)106-48-42-96(68-123(106)135)90-36-20-26-80(4)56-90/h9-74H,1-8H3
InChIKeyYETDWPXKZFEHKO-UHFFFAOYSA-N
XLogP33.41
TPSA93.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001740.18
LogP ≤ 533.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile with MolForge

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Related Compounds

2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile
CID 134302072
4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134296333
4-(3-cyanophenyl)-2,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 155377735
4-(2,6-dimethylpyrimidin-4-yl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 139419917
3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile;4-(4,6-dimethylpyrimidin-2-yl)-3,5-bis[3-(4-methylphenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenylpyrimidin-2-yl)-3,5-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 157496712
5-[3-[3-[6-[9-[4-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-(3,5-difluorophenyl)phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-5-phenylphenyl]carbazol-9-yl]-4-(3,5-difluorophenyl)-2-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 154959912
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 155427496
2,5-bis(3-tert-butylcarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)benzonitrile
CID 134292760
4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 157072749
5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155216463
4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile
CID 134302142
2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142501945

Frequently Asked Questions

What is the IUPAC name of 2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile?
The IUPAC name of 2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile (CID 134302051) is 2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile.
What is the SMILES notation for 2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile?
The canonical SMILES for 2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile is Cc1cccc(-c2ccc3c(c2)c2cc(-c4cc(-c5cccc(C)c5)cc5c4c4ccc(-c6cccc(C)c6)cc4n5-c4cc(C#N)c(-n5c6cc(-c7cccc(C)c7)ccc6c6ccc(-c7cccc(C)c7)cc65)cc4-c4cc(C)nc(C)c4)ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c(-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)cc2C#N)c1.
What is the InChIKey of 2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile?
The InChIKey is YETDWPXKZFEHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H90N8/c1-77-23-17-33-87(53-77)93-44-50-117-111(61-93)104-39-15-16-40-116(104)134(117)125-71-102(75-129)120(74-109(125)101-65-114(85-29-11-9-12-30-85)132-115(66-101)86-31-13-10-14-32-86)133-118-51-45-94(88-34-18-24-78(2)54-88)62-112(118)113-63-98(46-52-119(113)133)110-64-99(92-38-22-28-82(6)58-92)70-127-128(110)107-49-43-97(91-37-21-27-81(5)57-91)69-124(107)136(127)126-72-103(76-130)121(73-108(126)100-59-83(7)131-84(8)60-100)135-122-67-95(89-35-19-25-79(3)55-89)41-47-105(122)106-48-42-96(68-123(106)135)90-36-20-26-80(4)56-90/h9-74H,1-8H3.
What are the key properties of 2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile?
2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile has a molecular weight of 1740.18 g/mol, XLogP of 33.41, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile is sourced from PubChem (CID 134302051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).