3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole

C39H21N5 — CID 140759921

IUPAC3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3cccc(-c4ccc5c(c4)c4cc([N+]#[C-])ccc4n5-c4ccccc4[N+]#[C-])c32)cc1
InChIInChI=1S/C39H21N5/c1-40-26-16-19-28(20-17-26)43-35-13-6-4-9-30(35)31-11-8-10-29(39(31)43)25-15-21-36-32(23-25)33-24-27(41-2)18-22-37(33)44(36)38-14-7-5-12-34(38)42-3/h4-24H
InChIKeyKRIGEQDRWSNQMC-UHFFFAOYSA-N
MW559.63 g/mol
LogP11.20
Rot. Bonds3

About 3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole

3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole (PubChem CID 140759921) has the molecular formula C39H21N5 and a molecular weight of 559.63 g/mol. Its IUPAC name is 3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole.

Molecular Properties

Compound Name3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole
PubChem CID140759921
Molecular FormulaC39H21N5
Molecular Weight559.63 g/mol
Exact Mass559.18
IUPAC Name3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3cccc(-c4ccc5c(c4)c4cc([N+]#[C-])ccc4n5-c4ccccc4[N+]#[C-])c32)cc1
InChIInChI=1S/C39H21N5/c1-40-26-16-19-28(20-17-26)43-35-13-6-4-9-30(35)31-11-8-10-29(39(31)43)25-15-21-36-32(23-25)33-24-27(41-2)18-22-37(33)44(36)38-14-7-5-12-34(38)42-3/h4-24H
InChIKeyKRIGEQDRWSNQMC-UHFFFAOYSA-N
XLogP11.20
TPSA22.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.63
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]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

1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole
CID 140760424
9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole
CID 140822602
3-(2-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole;4-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;3-isocyano-9-[2-[9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole;3-isocyano-9-[2-[9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole
CID 158074338
9-[3-[6-isocyano-9-(2-isocyanophenyl)carbazol-1-yl]phenyl]carbazole-3-carbonitrile
CID 140760426
2-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole;4-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(2-isocyanophenyl)carbazole;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(3-isocyanophenyl)carbazole
CID 158720848
1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole
CID 140759923
6-isocyano-9-(3-isocyanophenyl)-1-(9-phenylcarbazol-1-yl)carbazole
CID 140759875
9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-1-isocyanocarbazole
CID 155604807
1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole
CID 140760204
3-carbazol-9-yl-9-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 162702859
4-[3-(3-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile;3-(3-carbazol-9-ylphenyl)-6-isocyano-9-(3-isocyanophenyl)carbazole;9-[3-[6-isocyano-9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole-3-carbonitrile;9-[3-[6-isocyano-9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole-3-carbonitrile
CID 158538094
12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole
CID 159224531

Frequently Asked Questions

What is the IUPAC name of 3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole?
The IUPAC name of 3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole (CID 140759921) is 3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole.
What is the SMILES notation for 3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole?
The canonical SMILES for 3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole is [C-]#[N+]c1ccc(-n2c3ccccc3c3cccc(-c4ccc5c(c4)c4cc([N+]#[C-])ccc4n5-c4ccccc4[N+]#[C-])c32)cc1.
What is the InChIKey of 3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole?
The InChIKey is KRIGEQDRWSNQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H21N5/c1-40-26-16-19-28(20-17-26)43-35-13-6-4-9-30(35)31-11-8-10-29(39(31)43)25-15-21-36-32(23-25)33-24-27(41-2)18-22-37(33)44(36)38-14-7-5-12-34(38)42-3/h4-24H.
What are the key properties of 3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole?
3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole has a molecular weight of 559.63 g/mol, XLogP of 11.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole is sourced from PubChem (CID 140759921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).