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

C58H36N6 — CID 139303341

IUPAC3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3ccc(-c4cccc(-c5ccccc5)c4)c(-n4c5ccccc5c5ccccc54)c3)nc(-n3c4ccccc4c4cccc(-c5ccccc5)c43)n2)c1
InChIInChI=1S/C58H36N6/c59-37-38-16-13-23-43(34-38)56-60-57(62-58(61-56)64-53-31-12-9-26-49(53)50-28-15-27-46(55(50)64)40-19-5-2-6-20-40)44-32-33-45(42-22-14-21-41(35-42)39-17-3-1-4-18-39)54(36-44)63-51-29-10-7-24-47(51)48-25-8-11-30-52(48)63/h1-36H
InChIKeyVVYPIIFYNMSLJZ-UHFFFAOYSA-N
MW816.97 g/mol
LogP14.27
Rot. Bonds7

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

3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 139303341) has the molecular formula C58H36N6 and a molecular weight of 816.97 g/mol. Its IUPAC name is 3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile
PubChem CID139303341
Molecular FormulaC58H36N6
Molecular Weight816.97 g/mol
Exact Mass816.30
IUPAC Name3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3ccc(-c4cccc(-c5ccccc5)c4)c(-n4c5ccccc5c5ccccc54)c3)nc(-n3c4ccccc4c4cccc(-c5ccccc5)c43)n2)c1
InChIInChI=1S/C58H36N6/c59-37-38-16-13-23-43(34-38)56-60-57(62-58(61-56)64-53-31-12-9-26-49(53)50-28-15-27-46(55(50)64)40-19-5-2-6-20-40)44-32-33-45(42-22-14-21-41(35-42)39-17-3-1-4-18-39)54(36-44)63-51-29-10-7-24-47(51)48-25-8-11-30-52(48)63/h1-36H
InChIKeyVVYPIIFYNMSLJZ-UHFFFAOYSA-N
XLogP14.27
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.97
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]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-carbazol-9-yl-4-[4-phenyl-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 139303465
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-[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
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
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303789
1-phenyl-9-[4-phenyl-6-[3-[2-[3-[3-[4-phenyl-6-[1-(4-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 137397297
3-[4-[3-(2-carbazol-9-ylcarbazol-9-yl)-4-phenylphenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 170097155
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
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
9-[5-[4-[3-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303416
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
12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 175627106

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile (CID 139303341) is 3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile is N#Cc1cccc(-c2nc(-c3ccc(-c4cccc(-c5ccccc5)c4)c(-n4c5ccccc5c5ccccc54)c3)nc(-n3c4ccccc4c4cccc(-c5ccccc5)c43)n2)c1.
What is the InChIKey of 3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is VVYPIIFYNMSLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6/c59-37-38-16-13-23-43(34-38)56-60-57(62-58(61-56)64-53-31-12-9-26-49(53)50-28-15-27-46(55(50)64)40-19-5-2-6-20-40)44-32-33-45(42-22-14-21-41(35-42)39-17-3-1-4-18-39)54(36-44)63-51-29-10-7-24-47(51)48-25-8-11-30-52(48)63/h1-36H.
What are the key properties of 3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile?
3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 816.97 g/mol, XLogP of 14.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-(1-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 139303341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).