3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-yl)phenyl]benzonitrile

C91H53N9 — CID 169035789

IUPAC3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-yl)phenyl]benzonitrile
SMILES[C-]#[N+]c1cccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(C#N)c5)cc4C4c5ccccc5-c5c4ccc4c6ccccc6n(-c6ccccc6)c54)nc(-c4ccc(-c5cccc(C#N)c5)cc4-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)cc2)c1
InChIInChI=1S/C91H53N9/c1-94-65-24-18-23-62(51-65)58-37-39-59(40-38-58)89-95-90(74-43-41-63(60-21-16-19-56(49-60)54-92)52-78(74)84-70-31-8-9-32-71(70)85-77(84)46-45-72-68-29-10-13-34-79(68)98(87(72)85)66-25-4-2-5-26-66)97-91(96-89)76-44-42-64(61-22-17-20-57(50-61)55-93)53-83(76)100-81-36-15-12-33-75(81)86-82(100)48-47-73-69-30-11-14-35-80(69)99(88(73)86)67-27-6-3-7-28-67/h2-53,84H
InChIKeyKKQYRSYQGVANJQ-UHFFFAOYSA-N
MW1272.49 g/mol
LogP22.62
Rot. Bonds10

About 3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-yl)phenyl]benzonitrile

3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-yl)phenyl]benzonitrile (PubChem CID 169035789) has the molecular formula C91H53N9 and a molecular weight of 1272.49 g/mol. Its IUPAC name is 3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-yl)phenyl]benzonitrile
PubChem CID169035789
Molecular FormulaC91H53N9
Molecular Weight1272.49 g/mol
Exact Mass1271.44
IUPAC Name3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-yl)phenyl]benzonitrile
SMILES[C-]#[N+]c1cccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(C#N)c5)cc4C4c5ccccc5-c5c4ccc4c6ccccc6n(-c6ccccc6)c54)nc(-c4ccc(-c5cccc(C#N)c5)cc4-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)cc2)c1
InChIInChI=1S/C91H53N9/c1-94-65-24-18-23-62(51-65)58-37-39-59(40-38-58)89-95-90(74-43-41-63(60-21-16-19-56(49-60)54-92)52-78(74)84-70-31-8-9-32-71(70)85-77(84)46-45-72-68-29-10-13-34-79(68)98(87(72)85)66-25-4-2-5-26-66)97-91(96-89)76-44-42-64(61-22-17-20-57(50-61)55-93)53-83(76)100-81-36-15-12-33-75(81)86-82(100)48-47-73-69-30-11-14-35-80(69)99(88(73)86)67-27-6-3-7-28-67/h2-53,84H
InChIKeyKKQYRSYQGVANJQ-UHFFFAOYSA-N
XLogP22.62
TPSA105.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001272.49
LogP ≤ 522.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-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-[4-[4-[4-(3-cyanophenyl)-2-methylphenyl]-6-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170133343
4-[4-[5-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170664741
3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]-7-(3-isocyanophenyl)carbazol-2-yl]benzonitrile
CID 155628103
4-[4-[4-(3-cyanophenyl)-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170664969
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[5-(3-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 153432206
2-(2,6-diphenylpyrimidin-4-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-[2-(4-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole;2-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile;3-[4-phenyl-6-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrimidin-2-yl]benzonitrile
CID 162053179
4-[4-[4-[4-(3-isocyanophenyl)phenyl]-6-[4-(4-isocyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 169035845
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-5-(9-phenylcarbazol-4-yl)carbazole-3-carbonitrile
CID 174269927
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 153432171
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-isocyano-5-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole-2-carbonitrile;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole-10-carbonitrile;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[2,3-g]carbazole-3-carbonitrile
CID 158229297
3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 161096795
3-[9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-isocyanophenyl]carbazol-3-yl]benzonitrile
CID 154603006

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-yl)phenyl]benzonitrile?
The IUPAC name of 3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-yl)phenyl]benzonitrile (CID 169035789) is 3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-yl)phenyl]benzonitrile.
What is the SMILES notation for 3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-yl)phenyl]benzonitrile?
The canonical SMILES for 3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-yl)phenyl]benzonitrile is [C-]#[N+]c1cccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(C#N)c5)cc4C4c5ccccc5-c5c4ccc4c6ccccc6n(-c6ccccc6)c54)nc(-c4ccc(-c5cccc(C#N)c5)cc4-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)cc2)c1.
What is the InChIKey of 3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-yl)phenyl]benzonitrile?
The InChIKey is KKQYRSYQGVANJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H53N9/c1-94-65-24-18-23-62(51-65)58-37-39-59(40-38-58)89-95-90(74-43-41-63(60-21-16-19-56(49-60)54-92)52-78(74)84-70-31-8-9-32-71(70)85-77(84)46-45-72-68-29-10-13-34-79(68)98(87(72)85)66-25-4-2-5-26-66)97-91(96-89)76-44-42-64(61-22-17-20-57(50-61)55-93)53-83(76)100-81-36-15-12-33-75(81)86-82(100)48-47-73-69-30-11-14-35-80(69)99(88(73)86)67-27-6-3-7-28-67/h2-53,84H.
What are the key properties of 3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-yl)phenyl]benzonitrile?
3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-yl)phenyl]benzonitrile has a molecular weight of 1272.49 g/mol, XLogP of 22.62, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[4-(3-cyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-[4-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-(12-phenyl-7H-indeno[1,2-a]carbazol-7-yl)phenyl]benzonitrile is sourced from PubChem (CID 169035789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).