4-[3-cyano-4-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[3-cyano-4-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile

C171H99N15 — CID 163474958

IUPAC4-[3-cyano-4-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[3-cyano-4-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-c2cc(-c3ccccc3)c(C#N)c(-c3ccccc3)c2C#N)ccc1-c1ccc2c(c1)c1c(ccc3c4ccccc4n(-c4ccccc4)c31)n2-c1ccccc1.N#Cc1cc(-c2cc(-c3ccccc3)c(C#N)c(-c3ccccc3)c2C#N)ccc1-c1ccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3ccccc3)c2c1.[C-]#[N+]c1cc(-c2cc(-c3ccccc3)c(C#N)c(-c3ccccc3)c2C#N)ccc1-c1cccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3ccccc3)c12
InChIInChI=1S/3C57H33N5/c1-60-51-33-39(48-34-47(37-17-6-2-7-18-37)49(35-58)54(50(48)36-59)38-19-8-3-9-20-38)29-30-42(51)44-26-16-27-46-55-53(62(56(44)46)41-23-12-5-13-24-41)32-31-45-43-25-14-15-28-52(43)61(57(45)55)40-21-10-4-11-22-40;58-34-41-31-39(48-33-47(37-15-5-1-6-16-37)50(35-59)55(51(48)36-60)38-17-7-2-8-18-38)25-27-44(41)40-26-29-53-49(32-40)56-54(61(53)42-19-9-3-10-20-42)30-28-46-45-23-13-14-24-52(45)62(57(46)56)43-21-11-4-12-22-43;58-34-41-31-39(49-33-48(37-15-5-1-6-16-37)50(35-59)55(51(49)36-60)38-17-7-2-8-18-38)25-27-44(41)40-26-28-47-54(32-40)61(42-19-9-3-10-20-42)53-30-29-46-45-23-13-14-24-52(45)62(57(46)56(47)53)43-21-11-4-12-22-43/h2-34H;2*1-33H
InChIKeyBZRMIFPFNBJVFH-UHFFFAOYSA-N
MW2363.78 g/mol
LogP43.17
Rot. Bonds18

About 4-[3-cyano-4-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[3-cyano-4-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile

4-[3-cyano-4-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[3-cyano-4-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile (PubChem CID 163474958) has the molecular formula C171H99N15 and a molecular weight of 2363.78 g/mol. Its IUPAC name is 4-[3-cyano-4-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[3-cyano-4-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[3-cyano-4-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[3-cyano-4-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile
PubChem CID163474958
Molecular FormulaC171H99N15
Molecular Weight2363.78 g/mol
Exact Mass2361.82
IUPAC Name4-[3-cyano-4-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[3-cyano-4-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-c2cc(-c3ccccc3)c(C#N)c(-c3ccccc3)c2C#N)ccc1-c1ccc2c(c1)c1c(ccc3c4ccccc4n(-c4ccccc4)c31)n2-c1ccccc1.N#Cc1cc(-c2cc(-c3ccccc3)c(C#N)c(-c3ccccc3)c2C#N)ccc1-c1ccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3ccccc3)c2c1.[C-]#[N+]c1cc(-c2cc(-c3ccccc3)c(C#N)c(-c3ccccc3)c2C#N)ccc1-c1cccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3ccccc3)c12
InChIInChI=1S/3C57H33N5/c1-60-51-33-39(48-34-47(37-17-6-2-7-18-37)49(35-58)54(50(48)36-59)38-19-8-3-9-20-38)29-30-42(51)44-26-16-27-46-55-53(62(56(44)46)41-23-12-5-13-24-41)32-31-45-43-25-14-15-28-52(43)61(57(45)55)40-21-10-4-11-22-40;58-34-41-31-39(48-33-47(37-15-5-1-6-16-37)50(35-59)55(51(48)36-60)38-17-7-2-8-18-38)25-27-44(41)40-26-29-53-49(32-40)56-54(61(53)42-19-9-3-10-20-42)30-28-46-45-23-13-14-24-52(45)62(57(46)56)43-21-11-4-12-22-43;58-34-41-31-39(49-33-48(37-15-5-1-6-16-37)50(35-59)55(51(49)36-60)38-17-7-2-8-18-38)25-27-44(41)40-26-28-47-54(32-40)61(42-19-9-3-10-20-42)53-30-29-46-45-23-13-14-24-52(45)62(57(46)56(47)53)43-21-11-4-12-22-43/h2-34H;2*1-33H
InChIKeyBZRMIFPFNBJVFH-UHFFFAOYSA-N
XLogP43.17
TPSA224.26 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002363.78
LogP ≤ 543.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-[3-cyano-4-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[3-cyano-4-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile with MolForge

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Related Compounds

4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile
CID 163474960
2-(5,12-diphenylindolo[3,2-c]carbazol-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 163582346
2-[4-(5,11-diphenylindolo[2,3-h]carbazol-4-yl)-3-isocyanophenyl]-4,6-diphenylpyridine-3,5-dicarbonitrile
CID 163663390
2-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 163582345
6-(11,12-diphenylindolo[2,3-a]carbazol-4-yl)-3-isocyano-2,4-diphenylbenzonitrile
CID 163411233
4-isocyano-2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 153461944
4-isocyano-3-phenyl-2,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170670751
2-isocyano-4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]benzonitrile
CID 161165462
2-(4-carbazol-9-ylphenyl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155604643
3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile
CID 146543110
4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050483
2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645713

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyano-4-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[3-cyano-4-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile?
The IUPAC name of 4-[3-cyano-4-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[3-cyano-4-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile (CID 163474958) is 4-[3-cyano-4-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[3-cyano-4-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[3-cyano-4-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[3-cyano-4-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[3-cyano-4-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[3-cyano-4-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile is N#Cc1cc(-c2cc(-c3ccccc3)c(C#N)c(-c3ccccc3)c2C#N)ccc1-c1ccc2c(c1)c1c(ccc3c4ccccc4n(-c4ccccc4)c31)n2-c1ccccc1.N#Cc1cc(-c2cc(-c3ccccc3)c(C#N)c(-c3ccccc3)c2C#N)ccc1-c1ccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3ccccc3)c2c1.[C-]#[N+]c1cc(-c2cc(-c3ccccc3)c(C#N)c(-c3ccccc3)c2C#N)ccc1-c1cccc2c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n(-c3ccccc3)c12.
What is the InChIKey of 4-[3-cyano-4-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[3-cyano-4-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile?
The InChIKey is BZRMIFPFNBJVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C57H33N5/c1-60-51-33-39(48-34-47(37-17-6-2-7-18-37)49(35-58)54(50(48)36-59)38-19-8-3-9-20-38)29-30-42(51)44-26-16-27-46-55-53(62(56(44)46)41-23-12-5-13-24-41)32-31-45-43-25-14-15-28-52(43)61(57(45)55)40-21-10-4-11-22-40;58-34-41-31-39(48-33-47(37-15-5-1-6-16-37)50(35-59)55(51(48)36-60)38-17-7-2-8-18-38)25-27-44(41)40-26-29-53-49(32-40)56-54(61(53)42-19-9-3-10-20-42)30-28-46-45-23-13-14-24-52(45)62(57(46)56)43-21-11-4-12-22-43;58-34-41-31-39(49-33-48(37-15-5-1-6-16-37)50(35-59)55(51(49)36-60)38-17-7-2-8-18-38)25-27-44(41)40-26-28-47-54(32-40)61(42-19-9-3-10-20-42)53-30-29-46-45-23-13-14-24-52(45)62(57(46)56(47)53)43-21-11-4-12-22-43/h2-34H;2*1-33H.
What are the key properties of 4-[3-cyano-4-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[3-cyano-4-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile?
4-[3-cyano-4-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[3-cyano-4-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile has a molecular weight of 2363.78 g/mol, XLogP of 43.17, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyano-4-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[3-cyano-4-(5,12-diphenylindolo[2,3-g]carbazol-3-yl)phenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile;4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 163474958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).