3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile

C240H148N20 — CID 159913359

IUPAC3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)ncc2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c1.N#Cc1cccc(-c2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ncc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)ncc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)ncc2-n2c3ccccc3c3ccc(-c4ccccc4)cc32)c1
InChIInChI=1S/C84H50N8.C60H38N4.2C48H30N4/c85-50-52-18-17-19-53(44-52)66-49-84(92-81-42-38-56(89-75-32-13-5-24-62(75)63-25-6-14-33-76(63)89)47-69(81)70-48-57(39-43-82(70)92)90-77-34-15-7-26-64(77)65-27-8-16-35-78(65)90)86-51-83(66)91-79-40-36-54(87-71-28-9-1-20-58(71)59-21-2-10-29-72(59)87)45-67(79)68-46-55(37-41-80(68)91)88-73-30-11-3-22-60(73)61-23-4-12-31-74(61)88;61-38-40-14-13-23-49(32-40)54-37-60(64-57-35-47(43-19-9-3-10-20-43)26-30-52(57)53-31-27-48(36-58(53)64)44-21-11-4-12-22-44)62-39-59(54)63-55-33-45(41-15-5-1-6-16-41)24-28-50(55)51-29-25-46(34-56(51)63)42-17-7-2-8-18-42;49-30-32-12-11-17-37(26-32)40-29-48(52-44-21-10-8-19-39(44)42-28-36(23-25-46(42)52)34-15-5-2-6-16-34)50-31-47(40)51-43-20-9-7-18-38(43)41-27-35(22-24-45(41)51)33-13-3-1-4-14-33;49-30-32-12-11-17-37(26-32)42-29-48(52-44-21-10-8-19-39(44)41-25-23-36(28-46(41)52)34-15-5-2-6-16-34)50-31-47(42)51-43-20-9-7-18-38(43)40-24-22-35(27-45(40)51)33-13-3-1-4-14-33/h1-49,51H;1-37,39H;2*1-29,31H
InChIKeyNXLRKZXIBPXEES-UHFFFAOYSA-N
MW3311.96 g/mol
LogP60.98
Rot. Bonds24

About 3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile

3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile (PubChem CID 159913359) has the molecular formula C240H148N20 and a molecular weight of 3311.96 g/mol. Its IUPAC name is 3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
PubChem CID159913359
Molecular FormulaC240H148N20
Molecular Weight3311.96 g/mol
Exact Mass3309.22
IUPAC Name3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)ncc2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c1.N#Cc1cccc(-c2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ncc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)ncc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)ncc2-n2c3ccccc3c3ccc(-c4ccccc4)cc32)c1
InChIInChI=1S/C84H50N8.C60H38N4.2C48H30N4/c85-50-52-18-17-19-53(44-52)66-49-84(92-81-42-38-56(89-75-32-13-5-24-62(75)63-25-6-14-33-76(63)89)47-69(81)70-48-57(39-43-82(70)92)90-77-34-15-7-26-64(77)65-27-8-16-35-78(65)90)86-51-83(66)91-79-40-36-54(87-71-28-9-1-20-58(71)59-21-2-10-29-72(59)87)45-67(79)68-46-55(37-41-80(68)91)88-73-30-11-3-22-60(73)61-23-4-12-31-74(61)88;61-38-40-14-13-23-49(32-40)54-37-60(64-57-35-47(43-19-9-3-10-20-43)26-30-52(57)53-31-27-48(36-58(53)64)44-21-11-4-12-22-44)62-39-59(54)63-55-33-45(41-15-5-1-6-16-41)24-28-50(55)51-29-25-46(34-56(51)63)42-17-7-2-8-18-42;49-30-32-12-11-17-37(26-32)40-29-48(52-44-21-10-8-19-39(44)42-28-36(23-25-46(42)52)34-15-5-2-6-16-34)50-31-47(40)51-43-20-9-7-18-38(43)41-27-35(22-24-45(41)51)33-13-3-1-4-14-33;49-30-32-12-11-17-37(26-32)42-29-48(52-44-21-10-8-19-39(44)41-25-23-36(28-46(41)52)34-15-5-2-6-16-34)50-31-47(42)51-43-20-9-7-18-38(43)40-24-22-35(27-45(40)51)33-13-3-1-4-14-33/h1-49,51H;1-37,39H;2*1-29,31H
InChIKeyNXLRKZXIBPXEES-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 3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile with MolForge

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Related Compounds

3-[2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544320
3-[9-[5-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile
CID 142452279
4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146543862
3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 160603792
3-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 147991874
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
2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 158854072
3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]carbazole
CID 175978291
4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543732
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759243
4-[9-[5-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)-2-pyridinyl]carbazol-2-yl]-3-isocyanobenzonitrile
CID 153486534
2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544203

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The IUPAC name of 3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile (CID 159913359) is 3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The canonical SMILES for 3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile is N#Cc1cccc(-c2cc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)ncc2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c1.N#Cc1cccc(-c2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ncc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)ncc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)ncc2-n2c3ccccc3c3ccc(-c4ccccc4)cc32)c1.
What is the InChIKey of 3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The InChIKey is NXLRKZXIBPXEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H50N8.C60H38N4.2C48H30N4/c85-50-52-18-17-19-53(44-52)66-49-84(92-81-42-38-56(89-75-32-13-5-24-62(75)63-25-6-14-33-76(63)89)47-69(81)70-48-57(39-43-82(70)92)90-77-34-15-7-26-64(77)65-27-8-16-35-78(65)90)86-51-83(66)91-79-40-36-54(87-71-28-9-1-20-58(71)59-21-2-10-29-72(59)87)45-67(79)68-46-55(37-41-80(68)91)88-73-30-11-3-22-60(73)61-23-4-12-31-74(61)88;61-38-40-14-13-23-49(32-40)54-37-60(64-57-35-47(43-19-9-3-10-20-43)26-30-52(57)53-31-27-48(36-58(53)64)44-21-11-4-12-22-44)62-39-59(54)63-55-33-45(41-15-5-1-6-16-41)24-28-50(55)51-29-25-46(34-56(51)63)42-17-7-2-8-18-42;49-30-32-12-11-17-37(26-32)40-29-48(52-44-21-10-8-19-39(44)42-28-36(23-25-46(42)52)34-15-5-2-6-16-34)50-31-47(40)51-43-20-9-7-18-38(43)41-27-35(22-24-45(41)51)33-13-3-1-4-14-33;49-30-32-12-11-17-37(26-32)42-29-48(52-44-21-10-8-19-39(44)41-25-23-36(28-46(41)52)34-15-5-2-6-16-34)50-31-47(42)51-43-20-9-7-18-38(43)40-24-22-35(27-45(40)51)33-13-3-1-4-14-33/h1-49,51H;1-37,39H;2*1-29,31H.
What are the key properties of 3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-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 3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 159913359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).