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

C240H148N20 — CID 159435033

IUPAC4-[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
SMILESN#Cc1ccc(-c2c(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)cncc2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc1.N#Cc1ccc(-c2c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cncc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.N#Cc1ccc(-c2c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cncc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1.N#Cc1ccc(-c2c(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cncc2-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C84H50N8.C60H38N4.2C48H30N4/c85-49-52-33-35-53(36-34-52)84-82(91-78-41-37-54(87-70-25-9-1-17-58(70)59-18-2-10-26-71(59)87)45-66(78)67-46-55(38-42-79(67)91)88-72-27-11-3-19-60(72)61-20-4-12-28-73(61)88)50-86-51-83(84)92-80-43-39-56(89-74-29-13-5-21-62(74)63-22-6-14-30-75(63)89)47-68(80)69-48-57(40-44-81(69)92)90-76-31-15-7-23-64(76)65-24-8-16-32-77(65)90;61-37-40-21-23-45(24-22-40)60-58(63-54-33-46(41-13-5-1-6-14-41)25-29-50(54)51-30-26-47(34-55(51)63)42-15-7-2-8-16-42)38-62-39-59(60)64-56-35-48(43-17-9-3-10-18-43)27-31-52(56)53-32-28-49(36-57(53)64)44-19-11-4-12-20-44;49-29-32-19-21-35(22-20-32)48-46(51-42-17-9-7-15-38(42)40-27-36(23-25-44(40)51)33-11-3-1-4-12-33)30-50-31-47(48)52-43-18-10-8-16-39(43)41-28-37(24-26-45(41)52)34-13-5-2-6-14-34;49-29-32-19-21-35(22-20-32)48-46(51-42-17-9-7-15-38(42)40-25-23-36(27-44(40)51)33-11-3-1-4-12-33)30-50-31-47(48)52-43-18-10-8-16-39(43)41-26-24-37(28-45(41)52)34-13-5-2-6-14-34/h1-48,50-51H;1-36,38-39H;2*1-28,30-31H
InChIKeyLRLXYGUHPDZGJP-UHFFFAOYSA-N
MW3311.96 g/mol
LogP60.98
Rot. Bonds24

About 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

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 (PubChem CID 159435033) has the molecular formula C240H148N20 and a molecular weight of 3311.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID159435033
Molecular FormulaC240H148N20
Molecular Weight3311.96 g/mol
Exact Mass3309.22
IUPAC Name4-[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
SMILESN#Cc1ccc(-c2c(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)cncc2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc1.N#Cc1ccc(-c2c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cncc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.N#Cc1ccc(-c2c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cncc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1.N#Cc1ccc(-c2c(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cncc2-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C84H50N8.C60H38N4.2C48H30N4/c85-49-52-33-35-53(36-34-52)84-82(91-78-41-37-54(87-70-25-9-1-17-58(70)59-18-2-10-26-71(59)87)45-66(78)67-46-55(38-42-79(67)91)88-72-27-11-3-19-60(72)61-20-4-12-28-73(61)88)50-86-51-83(84)92-80-43-39-56(89-74-29-13-5-21-62(74)63-22-6-14-30-75(63)89)47-68(80)69-48-57(40-44-81(69)92)90-76-31-15-7-23-64(76)65-24-8-16-32-77(65)90;61-37-40-21-23-45(24-22-40)60-58(63-54-33-46(41-13-5-1-6-14-41)25-29-50(54)51-30-26-47(34-55(51)63)42-15-7-2-8-16-42)38-62-39-59(60)64-56-35-48(43-17-9-3-10-18-43)27-31-52(56)53-32-28-49(36-57(53)64)44-19-11-4-12-20-44;49-29-32-19-21-35(22-20-32)48-46(51-42-17-9-7-15-38(42)40-27-36(23-25-44(40)51)33-11-3-1-4-12-33)30-50-31-47(48)52-43-18-10-8-16-39(43)41-28-37(24-26-45(41)52)34-13-5-2-6-14-34;49-29-32-19-21-35(22-20-32)48-46(51-42-17-9-7-15-38(42)40-25-23-36(27-44(40)51)33-11-3-1-4-12-33)30-50-31-47(48)52-43-18-10-8-16-39(43)41-26-24-37(28-45(41)52)34-13-5-2-6-14-34/h1-48,50-51H;1-36,38-39H;2*1-28,30-31H
InChIKeyLRLXYGUHPDZGJP-UHFFFAOYSA-N
XLogP60.98
TPSA205.88 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003311.96
LogP ≤ 560.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546484
4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544354
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
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
4-[3,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 142452373
4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544365
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759136
4-[3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546476
4-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759079
3-[3-[2-(4-cyanophenyl)carbazol-9-yl]-5-[2-(4-isocyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 153486386
4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145134822

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc(-c2c(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)cncc2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc1.N#Cc1ccc(-c2c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cncc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.N#Cc1ccc(-c2c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cncc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1.N#Cc1ccc(-c2c(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cncc2-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1.
What is the InChIKey of 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?
The InChIKey is LRLXYGUHPDZGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H50N8.C60H38N4.2C48H30N4/c85-49-52-33-35-53(36-34-52)84-82(91-78-41-37-54(87-70-25-9-1-17-58(70)59-18-2-10-26-71(59)87)45-66(78)67-46-55(38-42-79(67)91)88-72-27-11-3-19-60(72)61-20-4-12-28-73(61)88)50-86-51-83(84)92-80-43-39-56(89-74-29-13-5-21-62(74)63-22-6-14-30-75(63)89)47-68(80)69-48-57(40-44-81(69)92)90-76-31-15-7-23-64(76)65-24-8-16-32-77(65)90;61-37-40-21-23-45(24-22-40)60-58(63-54-33-46(41-13-5-1-6-14-41)25-29-50(54)51-30-26-47(34-55(51)63)42-15-7-2-8-16-42)38-62-39-59(60)64-56-35-48(43-17-9-3-10-18-43)27-31-52(56)53-32-28-49(36-57(53)64)44-19-11-4-12-20-44;49-29-32-19-21-35(22-20-32)48-46(51-42-17-9-7-15-38(42)40-27-36(23-25-44(40)51)33-11-3-1-4-12-33)30-50-31-47(48)52-43-18-10-8-16-39(43)41-28-37(24-26-45(41)52)34-13-5-2-6-14-34;49-29-32-19-21-35(22-20-32)48-46(51-42-17-9-7-15-38(42)40-25-23-36(27-44(40)51)33-11-3-1-4-12-33)30-50-31-47(48)52-43-18-10-8-16-39(43)41-26-24-37(28-45(41)52)34-13-5-2-6-14-34/h1-48,50-51H;1-36,38-39H;2*1-28,30-31H.
What are the key properties of 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?
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 has a molecular weight of 3311.96 g/mol, XLogP of 60.98, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159435033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).