3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile

C50H30N4 — CID 140903189

IUPAC3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile
SMILES[C-]#[N+]c1ccc(C#N)cc1-c1cc(-c2ccccc2)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-c2ccccc2)c1
InChIInChI=1S/C50H30N4/c1-52-44-27-25-33(32-51)29-41(44)36-30-42(34-15-5-2-6-16-34)49(43(31-36)35-17-7-3-8-18-35)54-45-23-13-11-21-38(45)39-26-28-47-48(50(39)54)40-22-12-14-24-46(40)53(47)37-19-9-4-10-20-37/h2-31H
InChIKeyRPUSTRWVNXRRNE-UHFFFAOYSA-N
MW686.82 g/mol
LogP13.30
Rot. Bonds5

About 3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile

3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile (PubChem CID 140903189) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile.

Molecular Properties

Compound Name3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile
PubChem CID140903189
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile
SMILES[C-]#[N+]c1ccc(C#N)cc1-c1cc(-c2ccccc2)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-c2ccccc2)c1
InChIInChI=1S/C50H30N4/c1-52-44-27-25-33(32-51)29-41(44)36-30-42(34-15-5-2-6-16-34)49(43(31-36)35-17-7-3-8-18-35)54-45-23-13-11-21-38(45)39-26-28-47-48(50(39)54)40-22-12-14-24-46(40)53(47)37-19-9-4-10-20-37/h2-31H
InChIKeyRPUSTRWVNXRRNE-UHFFFAOYSA-N
XLogP13.30
TPSA38.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile 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

2-[2,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzene-1,4-dicarbonitrile;2-[2,6-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzene-1,4-dicarbonitrile;3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile;2-[2-phenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzene-1,4-dicarbonitrile
CID 159219819
4-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)-3-phenylbenzonitrile
CID 146180146
9-[3-[3-(9-isocyano-5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140822760
4-[5-(2,6-diphenylpyrimidin-4-yl)-3-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 155656596
2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile
CID 140903238
4-isocyano-2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 153461944
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170670829
5-[3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 155447467
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
5-phenyl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-10-carbonitrile
CID 134597896
2-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163600124
4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 155656730

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile?
The IUPAC name of 3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile (CID 140903189) is 3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile.
What is the SMILES notation for 3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile?
The canonical SMILES for 3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile is [C-]#[N+]c1ccc(C#N)cc1-c1cc(-c2ccccc2)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-c2ccccc2)c1.
What is the InChIKey of 3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile?
The InChIKey is RPUSTRWVNXRRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c1-52-44-27-25-33(32-51)29-41(44)36-30-42(34-15-5-2-6-16-34)49(43(31-36)35-17-7-3-8-18-35)54-45-23-13-11-21-38(45)39-26-28-47-48(50(39)54)40-22-12-14-24-46(40)53(47)37-19-9-4-10-20-37/h2-31H.
What are the key properties of 3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile?
3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile has a molecular weight of 686.82 g/mol, XLogP of 13.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4-isocyanobenzonitrile is sourced from PubChem (CID 140903189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).