4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile

C188H118N10 — CID 157087342

IUPAC4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-c2cc(-c3c(-c4ccccc4)c(-c4ccccc4)c(C#N)c(-c4ccccc4)c3-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)c(-c2ccccc2)c1-c1ccccc1.N#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1cc(-c2c(C#N)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)nc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)c1
InChIInChI=1S/C97H61N5.C91H57N5/c98-62-80-88(64-32-10-1-11-33-64)92(68-40-18-5-19-41-68)96(93(69-42-20-6-21-43-69)89(80)65-34-12-2-13-35-65)74-60-82(97-94(70-44-22-7-23-45-70)90(66-36-14-3-15-37-66)81(63-99)91(67-38-16-4-17-39-67)95(97)71-46-24-8-25-47-71)100-87(61-74)102-84-53-31-29-51-77(84)79-59-73(55-57-86(79)102)72-54-56-85-78(58-72)76-50-28-30-52-83(76)101(85)75-48-26-9-27-49-75;92-58-72-80(60-32-10-1-11-33-60)83(62-36-14-3-15-37-62)86(65-42-20-6-21-43-65)85(64-40-18-5-19-41-64)82(72)68-56-74(94-79(57-68)96-76-53-31-29-51-71(76)91-78(96)55-54-77-90(91)70-50-28-30-52-75(70)95(77)69-48-26-9-27-49-69)89-73(59-93)81(61-34-12-2-13-35-61)84(63-38-16-4-17-39-63)87(66-44-22-7-23-45-66)88(89)67-46-24-8-25-47-67/h1-61H;1-57H
InChIKeyAEFZMLJMSBRJRR-UHFFFAOYSA-N
MW2517.08 g/mol
LogP49.05
Rot. Bonds25

About 4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile

4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile (PubChem CID 157087342) has the molecular formula C188H118N10 and a molecular weight of 2517.08 g/mol. Its IUPAC name is 4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile.

Molecular Properties

Compound Name4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile
PubChem CID157087342
Molecular FormulaC188H118N10
Molecular Weight2517.08 g/mol
Exact Mass2514.95
IUPAC Name4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-c2cc(-c3c(-c4ccccc4)c(-c4ccccc4)c(C#N)c(-c4ccccc4)c3-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)c(-c2ccccc2)c1-c1ccccc1.N#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1cc(-c2c(C#N)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)nc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)c1
InChIInChI=1S/C97H61N5.C91H57N5/c98-62-80-88(64-32-10-1-11-33-64)92(68-40-18-5-19-41-68)96(93(69-42-20-6-21-43-69)89(80)65-34-12-2-13-35-65)74-60-82(97-94(70-44-22-7-23-45-70)90(66-36-14-3-15-37-66)81(63-99)91(67-38-16-4-17-39-67)95(97)71-46-24-8-25-47-71)100-87(61-74)102-84-53-31-29-51-77(84)79-59-73(55-57-86(79)102)72-54-56-85-78(58-72)76-50-28-30-52-83(76)101(85)75-48-26-9-27-49-75;92-58-72-80(60-32-10-1-11-33-60)83(62-36-14-3-15-37-62)86(65-42-20-6-21-43-65)85(64-40-18-5-19-41-64)82(72)68-56-74(94-79(57-68)96-76-53-31-29-51-71(76)91-78(96)55-54-77-90(91)70-50-28-30-52-75(70)95(77)69-48-26-9-27-49-69)89-73(59-93)81(61-34-12-2-13-35-61)84(63-38-16-4-17-39-63)87(66-44-22-7-23-45-66)88(89)67-46-24-8-25-47-67/h1-61H;1-57H
InChIKeyAEFZMLJMSBRJRR-UHFFFAOYSA-N
XLogP49.05
TPSA140.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms198
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002517.08
LogP ≤ 549.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile with MolForge

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Related Compounds

2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile
CID 158193540
3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2,4,5,6-tetrapyridin-2-ylbenzonitrile
CID 140966629
3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
CID 137368622
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163668762
4-[2-carbazol-9-yl-6-(4-cyano-2,3,5,6-tetraphenylphenyl)-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2,3,4,5-tetraphenyl-6-[2-(N-phenylanilino)-6-(2,3,4,5-tetraphenylphenyl)-4-pyridinyl]benzonitrile
CID 162229156
3-phenyl-2-[3-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]quinoline-4-carbonitrile
CID 121337871
2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 137368903
4-[4-(4-isocyanophenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 140775805
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 126764108
3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole
CID 88866629

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile?
The IUPAC name of 4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile (CID 157087342) is 4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile.
What is the SMILES notation for 4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile?
The canonical SMILES for 4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile is N#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-c2cc(-c3c(-c4ccccc4)c(-c4ccccc4)c(C#N)c(-c4ccccc4)c3-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)c(-c2ccccc2)c1-c1ccccc1.N#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1cc(-c2c(C#N)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)nc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)c1.
What is the InChIKey of 4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile?
The InChIKey is AEFZMLJMSBRJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H61N5.C91H57N5/c98-62-80-88(64-32-10-1-11-33-64)92(68-40-18-5-19-41-68)96(93(69-42-20-6-21-43-69)89(80)65-34-12-2-13-35-65)74-60-82(97-94(70-44-22-7-23-45-70)90(66-36-14-3-15-37-66)81(63-99)91(67-38-16-4-17-39-67)95(97)71-46-24-8-25-47-71)100-87(61-74)102-84-53-31-29-51-77(84)79-59-73(55-57-86(79)102)72-54-56-85-78(58-72)76-50-28-30-52-83(76)101(85)75-48-26-9-27-49-75;92-58-72-80(60-32-10-1-11-33-60)83(62-36-14-3-15-37-62)86(65-42-20-6-21-43-65)85(64-40-18-5-19-41-64)82(72)68-56-74(94-79(57-68)96-76-53-31-29-51-71(76)91-78(96)55-54-77-90(91)70-50-28-30-52-75(70)95(77)69-48-26-9-27-49-69)89-73(59-93)81(61-34-12-2-13-35-61)84(63-38-16-4-17-39-63)87(66-44-22-7-23-45-66)88(89)67-46-24-8-25-47-67/h1-61H;1-57H.
What are the key properties of 4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile?
4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile has a molecular weight of 2517.08 g/mol, XLogP of 49.05, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2-[2-(2-cyano-3,4,5,6-tetraphenylphenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-pyridinyl]-3,4,5,6-tetraphenylbenzonitrile is sourced from PubChem (CID 157087342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).