2-[4-(5,11-diphenylindolo[2,3-h]carbazol-4-yl)-3-isocyanophenyl]-4,6-diphenylpyridine-3,5-dicarbonitrile

C56H32N6 — CID 163663390

IUPAC2-[4-(5,11-diphenylindolo[2,3-h]carbazol-4-yl)-3-isocyanophenyl]-4,6-diphenylpyridine-3,5-dicarbonitrile
SMILES[C-]#[N+]c1cc(-c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c2C#N)ccc1-c1cccc2c3cc4c(cc3n(-c3ccccc3)c12)c1ccccc1n4-c1ccccc1
InChIInChI=1S/C56H32N6/c1-59-49-31-38(55-48(35-58)53(36-17-6-2-7-18-36)47(34-57)54(60-55)37-19-8-3-9-20-37)29-30-41(49)43-26-16-27-44-46-33-51-45(32-52(46)62(56(43)44)40-23-12-5-13-24-40)42-25-14-15-28-50(42)61(51)39-21-10-4-11-22-39/h2-33H
InChIKeyCKJDHZRTINAIQB-UHFFFAOYSA-N
MW788.91 g/mol
LogP14.24
Rot. Bonds6

About 2-[4-(5,11-diphenylindolo[2,3-h]carbazol-4-yl)-3-isocyanophenyl]-4,6-diphenylpyridine-3,5-dicarbonitrile

2-[4-(5,11-diphenylindolo[2,3-h]carbazol-4-yl)-3-isocyanophenyl]-4,6-diphenylpyridine-3,5-dicarbonitrile (PubChem CID 163663390) has the molecular formula C56H32N6 and a molecular weight of 788.91 g/mol. Its IUPAC name is 2-[4-(5,11-diphenylindolo[2,3-h]carbazol-4-yl)-3-isocyanophenyl]-4,6-diphenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-[4-(5,11-diphenylindolo[2,3-h]carbazol-4-yl)-3-isocyanophenyl]-4,6-diphenylpyridine-3,5-dicarbonitrile
PubChem CID163663390
Molecular FormulaC56H32N6
Molecular Weight788.91 g/mol
Exact Mass788.27
IUPAC Name2-[4-(5,11-diphenylindolo[2,3-h]carbazol-4-yl)-3-isocyanophenyl]-4,6-diphenylpyridine-3,5-dicarbonitrile
SMILES[C-]#[N+]c1cc(-c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c2C#N)ccc1-c1cccc2c3cc4c(cc3n(-c3ccccc3)c12)c1ccccc1n4-c1ccccc1
InChIInChI=1S/C56H32N6/c1-59-49-31-38(55-48(35-58)53(36-17-6-2-7-18-36)47(34-57)54(60-55)37-19-8-3-9-20-37)29-30-41(49)43-26-16-27-44-46-33-51-45(32-52(46)62(56(43)44)40-23-12-5-13-24-40)42-25-14-15-28-50(42)61(51)39-21-10-4-11-22-39/h2-33H
InChIKeyCKJDHZRTINAIQB-UHFFFAOYSA-N
XLogP14.24
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.91
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
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
2,5-bis(4-carbazol-9-yl-11-phenylindolo[3,2-b]carbazol-5-yl)-4-isocyanobenzonitrile
CID 153461983
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile
CID 162426491
4-[3-cyano-4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-2,6-diphenylpyrimidine-5-carbonitrile
CID 163596205
2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile
CID 155645760
2-(11,12-diphenylindolo[2,3-a]carbazol-2-yl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163602679
4-[3-cyano-4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-2,6-diphenylpyrimidine-5-carbonitrile
CID 163634393
9-[3-isocyano-4-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336695
4,6-diphenyl-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrimidine-5-carbonitrile
CID 163478634
2,4,6-tri(carbazol-9-yl)-3-isocyano-5-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile
CID 162486153
4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile
CID 163455194

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,11-diphenylindolo[2,3-h]carbazol-4-yl)-3-isocyanophenyl]-4,6-diphenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-[4-(5,11-diphenylindolo[2,3-h]carbazol-4-yl)-3-isocyanophenyl]-4,6-diphenylpyridine-3,5-dicarbonitrile (CID 163663390) is 2-[4-(5,11-diphenylindolo[2,3-h]carbazol-4-yl)-3-isocyanophenyl]-4,6-diphenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-[4-(5,11-diphenylindolo[2,3-h]carbazol-4-yl)-3-isocyanophenyl]-4,6-diphenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-[4-(5,11-diphenylindolo[2,3-h]carbazol-4-yl)-3-isocyanophenyl]-4,6-diphenylpyridine-3,5-dicarbonitrile is [C-]#[N+]c1cc(-c2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c2C#N)ccc1-c1cccc2c3cc4c(cc3n(-c3ccccc3)c12)c1ccccc1n4-c1ccccc1.
What is the InChIKey of 2-[4-(5,11-diphenylindolo[2,3-h]carbazol-4-yl)-3-isocyanophenyl]-4,6-diphenylpyridine-3,5-dicarbonitrile?
The InChIKey is CKJDHZRTINAIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N6/c1-59-49-31-38(55-48(35-58)53(36-17-6-2-7-18-36)47(34-57)54(60-55)37-19-8-3-9-20-37)29-30-41(49)43-26-16-27-44-46-33-51-45(32-52(46)62(56(43)44)40-23-12-5-13-24-40)42-25-14-15-28-50(42)61(51)39-21-10-4-11-22-39/h2-33H.
What are the key properties of 2-[4-(5,11-diphenylindolo[2,3-h]carbazol-4-yl)-3-isocyanophenyl]-4,6-diphenylpyridine-3,5-dicarbonitrile?
2-[4-(5,11-diphenylindolo[2,3-h]carbazol-4-yl)-3-isocyanophenyl]-4,6-diphenylpyridine-3,5-dicarbonitrile has a molecular weight of 788.91 g/mol, XLogP of 14.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,11-diphenylindolo[2,3-h]carbazol-4-yl)-3-isocyanophenyl]-4,6-diphenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 163663390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).