3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile

C78H46N8 — CID 170133983

IUPAC3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3nc(-c4ccccc4-c4cccc(C#N)c4)nc(-c4ccc(-c5cccc(C#N)c5)cc4-n4c5ccccc5c5cc(-c6ccccc6)ccc54)n3)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)c1
InChIInChI=1S/C78H46N8/c79-47-50-16-13-23-55(40-50)59-32-36-66(74(45-59)85-70-30-11-9-27-63(70)68-43-57(34-38-72(68)85)53-19-3-1-4-20-53)77-82-76(65-29-8-7-26-62(65)61-25-15-18-52(42-61)49-81)83-78(84-77)67-37-33-60(56-24-14-17-51(41-56)48-80)46-75(67)86-71-31-12-10-28-64(71)69-44-58(35-39-73(69)86)54-21-5-2-6-22-54/h1-46H
InChIKeyLVVZGJLIUPCMKL-UHFFFAOYSA-N
MW1095.28 g/mol
LogP19.02
Rot. Bonds10

About 3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile

3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile (PubChem CID 170133983) has the molecular formula C78H46N8 and a molecular weight of 1095.28 g/mol. Its IUPAC name is 3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
PubChem CID170133983
Molecular FormulaC78H46N8
Molecular Weight1095.28 g/mol
Exact Mass1094.38
IUPAC Name3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3nc(-c4ccccc4-c4cccc(C#N)c4)nc(-c4ccc(-c5cccc(C#N)c5)cc4-n4c5ccccc5c5cc(-c6ccccc6)ccc54)n3)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)c1
InChIInChI=1S/C78H46N8/c79-47-50-16-13-23-55(40-50)59-32-36-66(74(45-59)85-70-30-11-9-27-63(70)68-43-57(34-38-72(68)85)53-19-3-1-4-20-53)77-82-76(65-29-8-7-26-62(65)61-25-15-18-52(42-61)49-81)83-78(84-77)67-37-33-60(56-24-14-17-51(41-56)48-80)46-75(67)86-71-31-12-10-28-64(71)69-44-58(35-39-73(69)86)54-21-5-2-6-22-54/h1-46H
InChIKeyLVVZGJLIUPCMKL-UHFFFAOYSA-N
XLogP19.02
TPSA119.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001095.28
LogP ≤ 519.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)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

3-[2-[4,6-bis[4-(4-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170134360
3-[3-[4,6-bis[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035606
3-[3-[4,6-bis[4-(3-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 155588470
3-[3-[4,6-bis[4-(3-cyanophenyl)-3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 162681285
3-[3-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035495
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylcarbazol-9-yl)benzonitrile
CID 134476139
3-[3-(3-cyanophenyl)carbazol-9-yl]-4-[2-[3-(3-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003306
3-[2-[4-[2-(3-cyanophenyl)-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 170135742
2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035747
3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 138486656
4-carbazol-9-yl-3-[4-[2-carbazol-9-yl-4-(3-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 170664743
3-[2-carbazol-9-yl-4-[4-[3-carbazol-9-yl-4-(3-cyanophenyl)phenyl]-6-[4-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170136080

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile?
The IUPAC name of 3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile (CID 170133983) is 3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile.
What is the SMILES notation for 3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile?
The canonical SMILES for 3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile is N#Cc1cccc(-c2ccc(-c3nc(-c4ccccc4-c4cccc(C#N)c4)nc(-c4ccc(-c5cccc(C#N)c5)cc4-n4c5ccccc5c5cc(-c6ccccc6)ccc54)n3)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)c1.
What is the InChIKey of 3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile?
The InChIKey is LVVZGJLIUPCMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46N8/c79-47-50-16-13-23-55(40-50)59-32-36-66(74(45-59)85-70-30-11-9-27-63(70)68-43-57(34-38-72(68)85)53-19-3-1-4-20-53)77-82-76(65-29-8-7-26-62(65)61-25-15-18-52(42-61)49-81)83-78(84-77)67-37-33-60(56-24-14-17-51(41-56)48-80)46-75(67)86-71-31-12-10-28-64(71)69-44-58(35-39-73(69)86)54-21-5-2-6-22-54/h1-46H.
What are the key properties of 3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile?
3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile has a molecular weight of 1095.28 g/mol, XLogP of 19.02, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 170133983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).