4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

C166H118N12 — CID 160846267

IUPAC4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4cncc(-n5c6cc(-c7ccc(C)cc7)ccc6c6ccc(-c7ccc(C)cc7)cc65)c4-c4ccc(C#N)cc4)c3c2)cc1.Cc1ccc(-c2ccc3c4ccccc4n(-c4cncc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7)cc65)c4-c4ccc(C#N)cc4)c3c2)cc1.Cc1ccc(-c2ccc3c4ccccc4n(-c4cncc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7C)cc65)c4-c4ccc(C#N)cc4)c3c2)c(C)c1
InChIInChI=1S/C64H46N4.C52H38N4.C50H34N4/c1-40-5-15-45(16-6-40)50-25-29-54-55-30-26-51(46-17-7-41(2)8-18-46)34-59(55)67(58(54)33-50)62-38-66-39-63(64(62)49-23-13-44(37-65)14-24-49)68-60-35-52(47-19-9-42(3)10-20-47)27-31-56(60)57-32-28-53(36-61(57)68)48-21-11-43(4)12-22-48;1-32-13-21-40(34(3)25-32)38-19-23-44-42-9-5-7-11-46(42)55(48(44)27-38)50-30-54-31-51(52(50)37-17-15-36(29-53)16-18-37)56-47-12-8-6-10-43(47)45-24-20-39(28-49(45)56)41-22-14-33(2)26-35(41)4;1-32-11-17-35(18-12-32)38-23-25-42-40-7-3-5-9-44(40)53(46(42)27-38)48-30-52-31-49(50(48)37-21-15-34(29-51)16-22-37)54-45-10-6-4-8-41(45)43-26-24-39(28-47(43)54)36-19-13-33(2)14-20-36/h5-36,38-39H,1-4H3;5-28,30-31H,1-4H3;3-28,30-31H,1-2H3
InChIKeySIRKEKGPAOMMML-UHFFFAOYSA-N
MW2280.85 g/mol
LogP42.86
Rot. Bonds17

About 4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 160846267) has the molecular formula C166H118N12 and a molecular weight of 2280.85 g/mol. Its IUPAC name is 4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID160846267
Molecular FormulaC166H118N12
Molecular Weight2280.85 g/mol
Exact Mass2278.96
IUPAC Name4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4cncc(-n5c6cc(-c7ccc(C)cc7)ccc6c6ccc(-c7ccc(C)cc7)cc65)c4-c4ccc(C#N)cc4)c3c2)cc1.Cc1ccc(-c2ccc3c4ccccc4n(-c4cncc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7)cc65)c4-c4ccc(C#N)cc4)c3c2)cc1.Cc1ccc(-c2ccc3c4ccccc4n(-c4cncc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7C)cc65)c4-c4ccc(C#N)cc4)c3c2)c(C)c1
InChIInChI=1S/C64H46N4.C52H38N4.C50H34N4/c1-40-5-15-45(16-6-40)50-25-29-54-55-30-26-51(46-17-7-41(2)8-18-46)34-59(55)67(58(54)33-50)62-38-66-39-63(64(62)49-23-13-44(37-65)14-24-49)68-60-35-52(47-19-9-42(3)10-20-47)27-31-56(60)57-32-28-53(36-61(57)68)48-21-11-43(4)12-22-48;1-32-13-21-40(34(3)25-32)38-19-23-44-42-9-5-7-11-46(42)55(48(44)27-38)50-30-54-31-51(52(50)37-17-15-36(29-53)16-18-37)56-47-12-8-6-10-43(47)45-24-20-39(28-49(45)56)41-22-14-33(2)26-35(41)4;1-32-11-17-35(18-12-32)38-23-25-42-40-7-3-5-9-44(40)53(46(42)27-38)48-30-52-31-49(50(48)37-21-15-34(29-51)16-22-37)54-45-10-6-4-8-41(45)43-26-24-39(28-47(43)54)36-19-13-33(2)14-20-36/h5-36,38-39H,1-4H3;5-28,30-31H,1-4H3;3-28,30-31H,1-2H3
InChIKeySIRKEKGPAOMMML-UHFFFAOYSA-N
XLogP42.86
TPSA139.62 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002280.85
LogP ≤ 542.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile with MolForge

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Related Compounds

4-[2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546432
4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544354
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546484
2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543797
4-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[3,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 159435033
3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546423
4-[3,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 142452373
2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile
CID 166057505
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
3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile
CID 158410931
3-[3-[2-(4-cyanophenyl)carbazol-9-yl]-5-[2-(4-isocyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 153486386
4-[3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546476

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 160846267) is 4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4cncc(-n5c6cc(-c7ccc(C)cc7)ccc6c6ccc(-c7ccc(C)cc7)cc65)c4-c4ccc(C#N)cc4)c3c2)cc1.Cc1ccc(-c2ccc3c4ccccc4n(-c4cncc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7)cc65)c4-c4ccc(C#N)cc4)c3c2)cc1.Cc1ccc(-c2ccc3c4ccccc4n(-c4cncc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7C)cc65)c4-c4ccc(C#N)cc4)c3c2)c(C)c1.
What is the InChIKey of 4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is SIRKEKGPAOMMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N4.C52H38N4.C50H34N4/c1-40-5-15-45(16-6-40)50-25-29-54-55-30-26-51(46-17-7-41(2)8-18-46)34-59(55)67(58(54)33-50)62-38-66-39-63(64(62)49-23-13-44(37-65)14-24-49)68-60-35-52(47-19-9-42(3)10-20-47)27-31-56(60)57-32-28-53(36-61(57)68)48-21-11-43(4)12-22-48;1-32-13-21-40(34(3)25-32)38-19-23-44-42-9-5-7-11-46(42)55(48(44)27-38)50-30-54-31-51(52(50)37-17-15-36(29-53)16-18-37)56-47-12-8-6-10-43(47)45-24-20-39(28-49(45)56)41-22-14-33(2)26-35(41)4;1-32-11-17-35(18-12-32)38-23-25-42-40-7-3-5-9-44(40)53(46(42)27-38)48-30-52-31-49(50(48)37-21-15-34(29-51)16-22-37)54-45-10-6-4-8-41(45)43-26-24-39(28-47(43)54)36-19-13-33(2)14-20-36/h5-36,38-39H,1-4H3;5-28,30-31H,1-4H3;3-28,30-31H,1-2H3.
What are the key properties of 4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile has a molecular weight of 2280.85 g/mol, XLogP of 42.86, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 160846267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).