3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

C178H126N12 — CID 161207738

IUPAC3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5cccc(C)c5)cc4c4cc(-c5cccc(C)c5)ccc43)c2-c2ccncc2)c1.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2-c2ccncc2)c1.Cc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7cccc(C)c7)ccc6c6ccc(-c7cccc(C)c7)cc65)c4-c4ccncc4)c3c2)c1
InChIInChI=1S/2C64H46N4.C50H34N4/c1-40-9-5-13-46(29-40)50-17-21-58-54(35-50)55-36-51(47-14-6-10-41(2)30-47)18-22-59(55)67(58)62-33-44(39-65)34-63(64(62)45-25-27-66-28-26-45)68-60-23-19-52(48-15-7-11-42(3)31-48)37-56(60)57-38-53(20-24-61(57)68)49-16-8-12-43(4)32-49;1-40-9-5-13-46(29-40)50-17-21-54-55-22-18-51(47-14-6-10-41(2)30-47)36-59(55)67(58(54)35-50)62-33-44(39-65)34-63(64(62)45-25-27-66-28-26-45)68-60-37-52(48-15-7-11-42(3)31-48)19-23-56(60)57-24-20-53(38-61(57)68)49-16-8-12-43(4)32-49;1-32-9-7-11-36(25-32)38-17-19-46-42(29-38)40-13-3-5-15-44(40)53(46)48-27-34(31-51)28-49(50(48)35-21-23-52-24-22-35)54-45-16-6-4-14-41(45)43-30-39(18-20-47(43)54)37-12-8-10-33(2)26-37/h2*5-38H,1-4H3;3-30H,1-2H3
InChIKeyUVVGZIKDWNILKV-UHFFFAOYSA-N
MW2433.05 g/mol
LogP46.20
Rot. Bonds19

About 3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (PubChem CID 161207738) has the molecular formula C178H126N12 and a molecular weight of 2433.05 g/mol. Its IUPAC name is 3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
PubChem CID161207738
Molecular FormulaC178H126N12
Molecular Weight2433.05 g/mol
Exact Mass2431.02
IUPAC Name3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5cccc(C)c5)cc4c4cc(-c5cccc(C)c5)ccc43)c2-c2ccncc2)c1.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2-c2ccncc2)c1.Cc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7cccc(C)c7)ccc6c6ccc(-c7cccc(C)c7)cc65)c4-c4ccncc4)c3c2)c1
InChIInChI=1S/2C64H46N4.C50H34N4/c1-40-9-5-13-46(29-40)50-17-21-58-54(35-50)55-36-51(47-14-6-10-41(2)30-47)18-22-59(55)67(58)62-33-44(39-65)34-63(64(62)45-25-27-66-28-26-45)68-60-23-19-52(48-15-7-11-42(3)31-48)37-56(60)57-38-53(20-24-61(57)68)49-16-8-12-43(4)32-49;1-40-9-5-13-46(29-40)50-17-21-54-55-22-18-51(47-14-6-10-41(2)30-47)36-59(55)67(58(54)35-50)62-33-44(39-65)34-63(64(62)45-25-27-66-28-26-45)68-60-37-52(48-15-7-11-42(3)31-48)19-23-56(60)57-24-20-53(38-61(57)68)49-16-8-12-43(4)32-49;1-32-9-7-11-36(25-32)38-17-19-46-42(29-38)40-13-3-5-15-44(40)53(46)48-27-34(31-51)28-49(50(48)35-21-23-52-24-22-35)54-45-16-6-4-14-41(45)43-30-39(18-20-47(43)54)37-12-8-10-33(2)26-37/h2*5-38H,1-4H3;3-30H,1-2H3
InChIKeyUVVGZIKDWNILKV-UHFFFAOYSA-N
XLogP46.20
TPSA139.62 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002433.05
LogP ≤ 546.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile with MolForge

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Related Compounds

3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134296240
3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296253
4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544354
9-[5-cyano-3-(2-cyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2-carbonitrile
CID 134292628
3,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[2-methyl-7-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(3,6-dimethylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile;3-(3-methylcarbazol-9-yl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 160699124
5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138566079
3,5-bis[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;5-[9-[5-cyano-3-[3-(3-cyano-5-isocyanophenyl)-6-(3,5-diisocyanophenyl)carbazol-9-yl]-2-pyridin-4-ylphenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 160522241
4-(3-cyano-5-methylphenyl)-3-[2-(3-cyanophenyl)carbazol-9-yl]-5-[2-(3-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 160512308
5-[4-cyano-2,6-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 139538740
4-(3-cyano-5-methylphenyl)-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 159631677
3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134302096
9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile
CID 134292629

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The IUPAC name of 3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (CID 161207738) is 3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The canonical SMILES for 3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5cccc(C)c5)cc4c4cc(-c5cccc(C)c5)ccc43)c2-c2ccncc2)c1.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2-c2ccncc2)c1.Cc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7cccc(C)c7)ccc6c6ccc(-c7cccc(C)c7)cc65)c4-c4ccncc4)c3c2)c1.
What is the InChIKey of 3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The InChIKey is UVVGZIKDWNILKV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C64H46N4.C50H34N4/c1-40-9-5-13-46(29-40)50-17-21-58-54(35-50)55-36-51(47-14-6-10-41(2)30-47)18-22-59(55)67(58)62-33-44(39-65)34-63(64(62)45-25-27-66-28-26-45)68-60-23-19-52(48-15-7-11-42(3)31-48)37-56(60)57-38-53(20-24-61(57)68)49-16-8-12-43(4)32-49;1-40-9-5-13-46(29-40)50-17-21-54-55-22-18-51(47-14-6-10-41(2)30-47)36-59(55)67(58(54)35-50)62-33-44(39-65)34-63(64(62)45-25-27-66-28-26-45)68-60-37-52(48-15-7-11-42(3)31-48)19-23-56(60)57-24-20-53(38-61(57)68)49-16-8-12-43(4)32-49;1-32-9-7-11-36(25-32)38-17-19-46-42(29-38)40-13-3-5-15-44(40)53(46)48-27-34(31-51)28-49(50(48)35-21-23-52-24-22-35)54-45-16-6-4-14-41(45)43-30-39(18-20-47(43)54)37-12-8-10-33(2)26-37/h2*5-38H,1-4H3;3-30H,1-2H3.
What are the key properties of 3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile has a molecular weight of 2433.05 g/mol, XLogP of 46.20, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 161207738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).