3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile

C188H114N18 — CID 160750615

IUPAC3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-c3cccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.N#Cc1cccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C106H64N10.C82H50N8/c107-65-66-25-23-30-69(59-66)70-49-54-97(115-98-55-50-71(111-89-40-15-7-31-75(89)76-32-8-16-41-90(76)111)61-85(98)86-62-72(51-56-99(86)115)112-91-42-17-9-33-77(91)78-34-10-18-43-92(78)112)84(60-70)83-39-24-48-102(103(83)106-109-104(67-26-3-1-4-27-67)108-105(110-106)68-28-5-2-6-29-68)116-100-57-52-73(113-93-44-19-11-35-79(93)80-36-12-20-45-94(80)113)63-87(100)88-64-74(53-58-101(88)116)114-95-46-21-13-37-81(95)82-38-14-22-47-96(82)114;83-51-52-21-19-26-55(47-52)56-41-44-75(89-73-38-17-11-31-63(73)67-49-57(42-45-76(67)89)87-69-34-13-7-27-59(69)60-28-8-14-35-70(60)87)66(48-56)65-33-20-40-78(79(65)82-85-80(53-22-3-1-4-23-53)84-81(86-82)54-24-5-2-6-25-54)90-74-39-18-12-32-64(74)68-50-58(43-46-77(68)90)88-71-36-15-9-29-61(71)62-30-10-16-37-72(62)88/h1-64H;1-50H
InChIKeyRWTPZZMTEXPYIP-UHFFFAOYSA-N
MW2625.11 g/mol
LogP47.13
Rot. Bonds20

About 3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile

3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile (PubChem CID 160750615) has the molecular formula C188H114N18 and a molecular weight of 2625.11 g/mol. Its IUPAC name is 3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
PubChem CID160750615
Molecular FormulaC188H114N18
Molecular Weight2625.11 g/mol
Exact Mass2622.95
IUPAC Name3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-c3cccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.N#Cc1cccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C106H64N10.C82H50N8/c107-65-66-25-23-30-69(59-66)70-49-54-97(115-98-55-50-71(111-89-40-15-7-31-75(89)76-32-8-16-41-90(76)111)61-85(98)86-62-72(51-56-99(86)115)112-91-42-17-9-33-77(91)78-34-10-18-43-92(78)112)84(60-70)83-39-24-48-102(103(83)106-109-104(67-26-3-1-4-27-67)108-105(110-106)68-28-5-2-6-29-68)116-100-57-52-73(113-93-44-19-11-35-79(93)80-36-12-20-45-94(80)113)63-87(100)88-64-74(53-58-101(88)116)114-95-46-21-13-37-81(95)82-38-14-22-47-96(82)114;83-51-52-21-19-26-55(47-52)56-41-44-75(89-73-38-17-11-31-63(73)67-49-57(42-45-76(67)89)87-69-34-13-7-27-59(69)60-28-8-14-35-70(60)87)66(48-56)65-33-20-40-78(79(65)82-85-80(53-22-3-1-4-23-53)84-81(86-82)54-24-5-2-6-25-54)90-74-39-18-12-32-64(74)68-50-58(43-46-77(68)90)88-71-36-15-9-29-61(71)62-30-10-16-37-72(62)88/h1-64H;1-50H
InChIKeyRWTPZZMTEXPYIP-UHFFFAOYSA-N
XLogP47.13
TPSA174.22 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002625.11
LogP ≤ 547.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139496184
3-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 139495502
3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 139495509
3-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 161415929
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-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 139495805
4-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
CID 153432288
4-[3-(3-cyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003450
9-[3-[2-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 139496248
3-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139496143
4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003372
3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 138554404

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile?
The IUPAC name of 3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile (CID 160750615) is 3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile is N#Cc1cccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-c3cccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.N#Cc1cccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.
What is the InChIKey of 3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile?
The InChIKey is RWTPZZMTEXPYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H64N10.C82H50N8/c107-65-66-25-23-30-69(59-66)70-49-54-97(115-98-55-50-71(111-89-40-15-7-31-75(89)76-32-8-16-41-90(76)111)61-85(98)86-62-72(51-56-99(86)115)112-91-42-17-9-33-77(91)78-34-10-18-43-92(78)112)84(60-70)83-39-24-48-102(103(83)106-109-104(67-26-3-1-4-27-67)108-105(110-106)68-28-5-2-6-29-68)116-100-57-52-73(113-93-44-19-11-35-79(93)80-36-12-20-45-94(80)113)63-87(100)88-64-74(53-58-101(88)116)114-95-46-21-13-37-81(95)82-38-14-22-47-96(82)114;83-51-52-21-19-26-55(47-52)56-41-44-75(89-73-38-17-11-31-63(73)67-49-57(42-45-76(67)89)87-69-34-13-7-27-59(69)60-28-8-14-35-70(60)87)66(48-56)65-33-20-40-78(79(65)82-85-80(53-22-3-1-4-23-53)84-81(86-82)54-24-5-2-6-25-54)90-74-39-18-12-32-64(74)68-50-58(43-46-77(68)90)88-71-36-15-9-29-61(71)62-30-10-16-37-72(62)88/h1-64H;1-50H.
What are the key properties of 3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile?
3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile has a molecular weight of 2625.11 g/mol, XLogP of 47.13, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 160750615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).