4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile

C171H115N19 — CID 160901991

IUPAC4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(C#N)c(C#N)c2)cc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)n1.Cc1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3cc(C)ccc32)c(-n2c3ccccc3c3cc(C)ccc32)c(-c2ccc(C#N)c(C#N)c2)c1-n1c2ccccc2c2cc(C)ccc21.N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)cc1C#N
InChIInChI=1S/C65H43N7.C61H35N7.C45H37N5/c1-38-21-27-57-49(31-38)45-13-5-9-17-53(45)69(57)62-61(42-25-26-43(36-66)44(35-42)37-67)63(70-54-18-10-6-14-46(54)50-32-39(2)22-28-58(50)70)65(72-56-20-12-8-16-48(56)52-34-41(4)24-30-60(52)72)68-64(62)71-55-19-11-7-15-47(55)51-33-40(3)23-29-59(51)71;62-36-39-34-33-38(35-40(39)37-63)57-58(65-49-25-9-1-17-41(49)42-18-2-10-26-50(42)65)60(67-53-29-13-5-21-45(53)46-22-6-14-30-54(46)67)64-61(68-55-31-15-7-23-47(55)48-24-8-16-32-56(48)68)59(57)66-51-27-11-3-19-43(51)44-20-4-12-28-52(44)66;1-44(2,3)32-17-19-40-36(24-32)34-11-7-9-13-38(34)49(40)42-22-30(28-15-16-29(26-46)31(21-28)27-47)23-43(48-42)50-39-14-10-8-12-35(39)37-25-33(45(4,5)6)18-20-41(37)50/h5-35H,1-4H3;1-35H;7-25H,1-6H3
InChIKeySPPYONJDMKJCKH-UHFFFAOYSA-N
MW2435.93 g/mol
LogP42.28
Rot. Bonds13

About 4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile

4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile (PubChem CID 160901991) has the molecular formula C171H115N19 and a molecular weight of 2435.93 g/mol. Its IUPAC name is 4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
PubChem CID160901991
Molecular FormulaC171H115N19
Molecular Weight2435.93 g/mol
Exact Mass2433.96
IUPAC Name4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(C#N)c(C#N)c2)cc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)n1.Cc1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3cc(C)ccc32)c(-n2c3ccccc3c3cc(C)ccc32)c(-c2ccc(C#N)c(C#N)c2)c1-n1c2ccccc2c2cc(C)ccc21.N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)cc1C#N
InChIInChI=1S/C65H43N7.C61H35N7.C45H37N5/c1-38-21-27-57-49(31-38)45-13-5-9-17-53(45)69(57)62-61(42-25-26-43(36-66)44(35-42)37-67)63(70-54-18-10-6-14-46(54)50-32-39(2)22-28-58(50)70)65(72-56-20-12-8-16-48(56)52-34-41(4)24-30-60(52)72)68-64(62)71-55-19-11-7-15-47(55)51-33-40(3)23-29-59(51)71;62-36-39-34-33-38(35-40(39)37-63)57-58(65-49-25-9-1-17-41(49)42-18-2-10-26-50(42)65)60(67-53-29-13-5-21-45(53)46-22-6-14-30-54(46)67)64-61(68-55-31-15-7-23-47(55)48-24-8-16-32-56(48)68)59(57)66-51-27-11-3-19-43(51)44-20-4-12-28-52(44)66;1-44(2,3)32-17-19-40-36(24-32)34-11-7-9-13-38(34)49(40)42-22-30(28-15-16-29(26-46)31(21-28)27-47)23-43(48-42)50-39-14-10-8-12-35(39)37-25-33(45(4,5)6)18-20-41(37)50/h5-35H,1-4H3;1-35H;7-25H,1-6H3
InChIKeySPPYONJDMKJCKH-UHFFFAOYSA-N
XLogP42.28
TPSA230.71 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002435.93
LogP ≤ 542.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile with MolForge

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Related Compounds

4-[3,5-bis(3,6-dimethylcarbazol-9-yl)-2,6-diphenyl-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759116
4-[3,5-bis[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5-tri(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 160513961
4-[2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-(4-cyanophenyl)phenyl]benzonitrile
CID 168845296
3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole
CID 146512463
9-[2,6-bis(3-tert-butylcarbazol-9-yl)-5-carbazol-9-yl-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;9-[3,5-di(carbazol-9-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole
CID 160669259
2,6-di(carbazol-9-yl)-4-phenylpyridine-3,5-dicarbonitrile;2,4,5,6-tetra(carbazol-9-yl)benzene-1,3-dicarbonitrile;2,4,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 159171275
2,6-di(carbazol-9-yl)-3,5-bis(3,6-ditert-butylcarbazol-9-yl)-4-phenylbenzonitrile
CID 137369191
4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759204
4-[3,5-bis[2-(3-methylcarbazol-9-yl)phenyl]-2,6-diphenyl-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759184
4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759220
4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,2-dicarbonitrile
CID 140903115
3,5-di(carbazol-9-yl)-2,4,6-tris(3,6-ditert-butylcarbazol-9-yl)benzonitrile
CID 155797997

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile (CID 160901991) is 4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(C#N)c(C#N)c2)cc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)n1.Cc1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3cc(C)ccc32)c(-n2c3ccccc3c3cc(C)ccc32)c(-c2ccc(C#N)c(C#N)c2)c1-n1c2ccccc2c2cc(C)ccc21.N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)cc1C#N.
What is the InChIKey of 4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile?
The InChIKey is SPPYONJDMKJCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N7.C61H35N7.C45H37N5/c1-38-21-27-57-49(31-38)45-13-5-9-17-53(45)69(57)62-61(42-25-26-43(36-66)44(35-42)37-67)63(70-54-18-10-6-14-46(54)50-32-39(2)22-28-58(50)70)65(72-56-20-12-8-16-48(56)52-34-41(4)24-30-60(52)72)68-64(62)71-55-19-11-7-15-47(55)51-33-40(3)23-29-59(51)71;62-36-39-34-33-38(35-40(39)37-63)57-58(65-49-25-9-1-17-41(49)42-18-2-10-26-50(42)65)60(67-53-29-13-5-21-45(53)46-22-6-14-30-54(46)67)64-61(68-55-31-15-7-23-47(55)48-24-8-16-32-56(48)68)59(57)66-51-27-11-3-19-43(51)44-20-4-12-28-52(44)66;1-44(2,3)32-17-19-40-36(24-32)34-11-7-9-13-38(34)49(40)42-22-30(28-15-16-29(26-46)31(21-28)27-47)23-43(48-42)50-39-14-10-8-12-35(39)37-25-33(45(4,5)6)18-20-41(37)50/h5-35H,1-4H3;1-35H;7-25H,1-6H3.
What are the key properties of 4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile?
4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile has a molecular weight of 2435.93 g/mol, XLogP of 42.28, 13 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 160901991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).