3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-ethynyl-4-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole

C187H115N17 — CID 160912164

IUPAC3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-ethynyl-4-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole
SMILESC#Cc1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3-c3ccccc3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3cccc4ccccc34)c21.N#Cc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc5ccccc45)c32)c(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1.N#Cc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc5ccccc45)c32)c(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)c1
InChIInChI=1S/C63H39N5.2C62H38N6/c1-2-41-40-47(62-64-61(46-34-32-43(33-35-46)42-18-5-3-6-19-42)65-63(66-62)52-27-12-11-24-48(52)44-20-7-4-8-21-44)36-38-54(41)68-56-29-15-13-26-50(56)51-37-39-58-59(60(51)68)53-28-14-16-30-57(53)67(58)55-31-17-23-45-22-9-10-25-49(45)55;63-39-40-32-34-56(68-54-29-11-9-27-49(54)50-33-35-57-58(59(50)68)51-28-10-12-30-55(51)67(57)53-31-15-21-43-20-7-8-26-48(43)53)52(36-40)62-65-60(46-24-13-22-44(37-46)41-16-3-1-4-17-41)64-61(66-62)47-25-14-23-45(38-47)42-18-5-2-6-19-42;63-39-40-26-36-56(68-54-23-11-9-21-49(54)50-35-37-57-58(59(50)68)51-22-10-12-24-55(51)67(57)53-25-13-19-45-18-7-8-20-48(45)53)52(38-40)62-65-60(46-31-27-43(28-32-46)41-14-3-1-4-15-41)64-61(66-62)47-33-29-44(30-34-47)42-16-5-2-6-17-42/h1,3-40H;2*1-38H
InChIKeySQXWLFKEFRVGPQ-UHFFFAOYSA-N
MW2600.10 g/mol
LogP46.39
Rot. Bonds21

About 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-ethynyl-4-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole

3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-ethynyl-4-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole (PubChem CID 160912164) has the molecular formula C187H115N17 and a molecular weight of 2600.10 g/mol. Its IUPAC name is 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-ethynyl-4-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-ethynyl-4-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole
PubChem CID160912164
Molecular FormulaC187H115N17
Molecular Weight2600.10 g/mol
Exact Mass2597.95
IUPAC Name3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-ethynyl-4-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole
SMILESC#Cc1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3-c3ccccc3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3cccc4ccccc34)c21.N#Cc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc5ccccc45)c32)c(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1.N#Cc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc5ccccc45)c32)c(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)c1
InChIInChI=1S/C63H39N5.2C62H38N6/c1-2-41-40-47(62-64-61(46-34-32-43(33-35-46)42-18-5-3-6-19-42)65-63(66-62)52-27-12-11-24-48(52)44-20-7-4-8-21-44)36-38-54(41)68-56-29-15-13-26-50(56)51-37-39-58-59(60(51)68)53-28-14-16-30-57(53)67(58)55-31-17-23-45-22-9-10-25-49(45)55;63-39-40-32-34-56(68-54-29-11-9-27-49(54)50-33-35-57-58(59(50)68)51-28-10-12-30-55(51)67(57)53-31-15-21-43-20-7-8-26-48(43)53)52(36-40)62-65-60(46-24-13-22-44(37-46)41-16-3-1-4-17-41)64-61(66-62)47-25-14-23-45(38-47)42-18-5-2-6-19-42;63-39-40-26-36-56(68-54-23-11-9-21-49(54)50-35-37-57-58(59(50)68)51-22-10-12-24-55(51)67(57)53-25-13-19-45-18-7-8-20-48(45)53)52(38-40)62-65-60(46-31-27-43(28-32-46)41-14-3-1-4-15-41)64-61(66-62)47-33-29-44(30-34-47)42-16-5-2-6-17-42/h1,3-40H;2*1-38H
InChIKeySQXWLFKEFRVGPQ-UHFFFAOYSA-N
XLogP46.39
TPSA193.17 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002600.10
LogP ≤ 546.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-ethynyl-4-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole 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-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-dibenzothiophen-4-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-dibenzothiophen-4-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-dibenzothiophen-4-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,4,5-trideuterio-6-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(5-dibenzothiophen-4-ylindolo[3,2-c]carbazol-12-yl)-3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4,5-trideuterio-6-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4,5-trideuterio-6-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile;2,4,5-trideuterio-6-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 158684648
3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170447156
5-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 163238684
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 170268316
12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240323
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-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 166983956
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 169036916
5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 161013324
5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170444631
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole
CID 170148217
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 149424415

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-ethynyl-4-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole?
The IUPAC name of 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-ethynyl-4-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole (CID 160912164) is 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-ethynyl-4-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole.
What is the SMILES notation for 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-ethynyl-4-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole?
The canonical SMILES for 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-ethynyl-4-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole is C#Cc1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3-c3ccccc3)n2)ccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3cccc4ccccc34)c21.N#Cc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc5ccccc45)c32)c(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1.N#Cc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc5ccccc45)c32)c(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)c1.
What is the InChIKey of 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-ethynyl-4-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole?
The InChIKey is SQXWLFKEFRVGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5.2C62H38N6/c1-2-41-40-47(62-64-61(46-34-32-43(33-35-46)42-18-5-3-6-19-42)65-63(66-62)52-27-12-11-24-48(52)44-20-7-4-8-21-44)36-38-54(41)68-56-29-15-13-26-50(56)51-37-39-58-59(60(51)68)53-28-14-16-30-57(53)67(58)55-31-17-23-45-22-9-10-25-49(45)55;63-39-40-32-34-56(68-54-29-11-9-27-49(54)50-33-35-57-58(59(50)68)51-28-10-12-30-55(51)67(57)53-31-15-21-43-20-7-8-26-48(43)53)52(36-40)62-65-60(46-24-13-22-44(37-46)41-16-3-1-4-17-41)64-61(66-62)47-25-14-23-45(38-47)42-18-5-2-6-19-42;63-39-40-26-36-56(68-54-23-11-9-21-49(54)50-35-37-57-58(59(50)68)51-22-10-12-24-55(51)67(57)53-25-13-19-45-18-7-8-20-48(45)53)52(38-40)62-65-60(46-31-27-43(28-32-46)41-14-3-1-4-15-41)64-61(66-62)47-33-29-44(30-34-47)42-16-5-2-6-17-42/h1,3-40H;2*1-38H.
What are the key properties of 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-ethynyl-4-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole?
3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-ethynyl-4-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole has a molecular weight of 2600.10 g/mol, XLogP of 46.39, 21 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-(5-naphthalen-1-ylindolo[3,2-c]carbazol-12-yl)benzonitrile;12-[2-ethynyl-4-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole is sourced from PubChem (CID 160912164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).