2-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenyl]-5,12-diphenylindolo[3,2-c]carbazole

C156H96N18 — CID 163648494

IUPAC2-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenyl]-5,12-diphenylindolo[3,2-c]carbazole
SMILESN#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc2c(c1)c1c(ccc3c4ccccc4n(-c4ccccc4)c31)n2-c1ccccc1.N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3ccccc3)c2c1.[C-]#[N+]c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3ccccc3)c12
InChIInChI=1S/3C52H32N6/c1-53-44-33-36(52-55-50(34-17-6-2-7-18-34)54-51(56-52)35-19-8-3-9-20-35)29-30-39(44)41-26-16-27-43-47-46(58(48(41)43)38-23-12-5-13-24-38)32-31-42-40-25-14-15-28-45(40)57(49(42)47)37-21-10-4-11-22-37;53-33-38-31-37(52-55-50(34-15-5-1-6-16-34)54-51(56-52)35-17-7-2-8-18-35)26-27-41(38)36-25-28-44-47(32-36)57(39-19-9-3-10-20-39)46-30-29-43-42-23-13-14-24-45(42)58(49(43)48(44)46)40-21-11-4-12-22-40;53-33-38-31-37(52-55-50(34-15-5-1-6-16-34)54-51(56-52)35-17-7-2-8-18-35)25-27-41(38)36-26-29-46-44(32-36)48-47(57(46)39-19-9-3-10-20-39)30-28-43-42-23-13-14-24-45(42)58(49(43)48)40-21-11-4-12-22-40/h2-33H;2*1-32H
InChIKeyIKFZZHNDMUYOCS-UHFFFAOYSA-N
MW2222.61 g/mol
LogP38.50
Rot. Bonds18

About 2-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenyl]-5,12-diphenylindolo[3,2-c]carbazole

2-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenyl]-5,12-diphenylindolo[3,2-c]carbazole (PubChem CID 163648494) has the molecular formula C156H96N18 and a molecular weight of 2222.61 g/mol. Its IUPAC name is 2-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenyl]-5,12-diphenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name2-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenyl]-5,12-diphenylindolo[3,2-c]carbazole
PubChem CID163648494
Molecular FormulaC156H96N18
Molecular Weight2222.61 g/mol
Exact Mass2220.81
IUPAC Name2-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenyl]-5,12-diphenylindolo[3,2-c]carbazole
SMILESN#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc2c(c1)c1c(ccc3c4ccccc4n(-c4ccccc4)c31)n2-c1ccccc1.N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3ccccc3)c2c1.[C-]#[N+]c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3ccccc3)c12
InChIInChI=1S/3C52H32N6/c1-53-44-33-36(52-55-50(34-17-6-2-7-18-34)54-51(56-52)35-19-8-3-9-20-35)29-30-39(44)41-26-16-27-43-47-46(58(48(41)43)38-23-12-5-13-24-38)32-31-42-40-25-14-15-28-45(40)57(49(42)47)37-21-10-4-11-22-37;53-33-38-31-37(52-55-50(34-15-5-1-6-16-34)54-51(56-52)35-17-7-2-8-18-35)26-27-41(38)36-25-28-44-47(32-36)57(39-19-9-3-10-20-39)46-30-29-43-42-23-13-14-24-45(42)58(49(43)48(44)46)40-21-11-4-12-22-40;53-33-38-31-37(52-55-50(34-15-5-1-6-16-34)54-51(56-52)35-17-7-2-8-18-35)25-27-41(38)36-26-29-46-44(32-36)48-47(57(46)39-19-9-3-10-20-39)30-28-43-42-23-13-14-24-45(42)58(49(43)48)40-21-11-4-12-22-40/h2-33H;2*1-32H
InChIKeyIKFZZHNDMUYOCS-UHFFFAOYSA-N
XLogP38.50
TPSA197.53 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002222.61
LogP ≤ 538.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenyl]-5,12-diphenylindolo[3,2-c]carbazole with MolForge

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Related Compounds

CID 102593214
CID 102593214
CID 118424868
CID 118424868
CID 122212559
CID 122212559
CID 163651179
CID 163651179
CID 163657911
CID 163657911
CID 163662137
CID 163662137
CID 163668248
CID 163668248
CID 58511523
CID 58511523
CID 90308422
CID 90308422
CID 102503556
CID 102503556
CID 121401498
CID 121401498
CID 129122250
CID 129122250

Frequently Asked Questions

What is the IUPAC name of 2-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenyl]-5,12-diphenylindolo[3,2-c]carbazole?
The IUPAC name of 2-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenyl]-5,12-diphenylindolo[3,2-c]carbazole (CID 163648494) is 2-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenyl]-5,12-diphenylindolo[3,2-c]carbazole.
What is the SMILES notation for 2-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenyl]-5,12-diphenylindolo[3,2-c]carbazole?
The canonical SMILES for 2-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenyl]-5,12-diphenylindolo[3,2-c]carbazole is N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc2c(c1)c1c(ccc3c4ccccc4n(-c4ccccc4)c31)n2-c1ccccc1.N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3ccccc3)c2c1.[C-]#[N+]c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3ccccc3)c12.
What is the InChIKey of 2-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenyl]-5,12-diphenylindolo[3,2-c]carbazole?
The InChIKey is IKFZZHNDMUYOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H32N6/c1-53-44-33-36(52-55-50(34-17-6-2-7-18-34)54-51(56-52)35-19-8-3-9-20-35)29-30-39(44)41-26-16-27-43-47-46(58(48(41)43)38-23-12-5-13-24-38)32-31-42-40-25-14-15-28-45(40)57(49(42)47)37-21-10-4-11-22-37;53-33-38-31-37(52-55-50(34-15-5-1-6-16-34)54-51(56-52)35-17-7-2-8-18-35)26-27-41(38)36-25-28-44-47(32-36)57(39-19-9-3-10-20-39)46-30-29-43-42-23-13-14-24-45(42)58(49(43)48(44)46)40-21-11-4-12-22-40;53-33-38-31-37(52-55-50(34-15-5-1-6-16-34)54-51(56-52)35-17-7-2-8-18-35)25-27-41(38)36-26-29-46-44(32-36)48-47(57(46)39-19-9-3-10-20-39)30-28-43-42-23-13-14-24-45(42)58(49(43)48)40-21-11-4-12-22-40/h2-33H;2*1-32H.
What are the key properties of 2-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenyl]-5,12-diphenylindolo[3,2-c]carbazole?
2-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenyl]-5,12-diphenylindolo[3,2-c]carbazole has a molecular weight of 2222.61 g/mol, XLogP of 38.50, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenyl]-5,12-diphenylindolo[3,2-c]carbazole is sourced from PubChem (CID 163648494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).