1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole

C38H22N4 — CID 140760424

IUPAC1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c1n2-c1ccccc1[N+]#[C-]
InChIInChI=1S/C38H22N4/c1-39-26-21-22-36-32(24-26)31-16-10-15-28(38(31)42(36)37-20-8-5-17-33(37)40-2)25-11-9-12-27(23-25)41-34-18-6-3-13-29(34)30-14-4-7-19-35(30)41/h3-24H
InChIKeyUZKFTLDBHFBRJP-UHFFFAOYSA-N
MW534.62 g/mol
LogP10.65
Rot. Bonds3

About 1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole

1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole (PubChem CID 140760424) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole.

Molecular Properties

Compound Name1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole
PubChem CID140760424
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c1n2-c1ccccc1[N+]#[C-]
InChIInChI=1S/C38H22N4/c1-39-26-21-22-36-32(24-26)31-16-10-15-28(38(31)42(36)37-20-8-5-17-33(37)40-2)25-11-9-12-27(23-25)41-34-18-6-3-13-29(34)30-14-4-7-19-35(30)41/h3-24H
InChIKeyUZKFTLDBHFBRJP-UHFFFAOYSA-N
XLogP10.65
TPSA18.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[3-[6-isocyano-9-(2-isocyanophenyl)carbazol-1-yl]phenyl]carbazole-3-carbonitrile
CID 140760426
3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole
CID 140759921
3-carbazol-9-yl-9-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 162702859
9-[2-[6-(3-carbazol-9-ylphenyl)-2,3-diisocyanophenyl]phenyl]-3-isocyanocarbazole
CID 155603778
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-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-3-isocyanocarbazole
CID 155604945
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
6-isocyano-9-(3-isocyanophenyl)-1-(9-phenylcarbazol-1-yl)carbazole
CID 140759875
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-4-isocyanocarbazole
CID 155603973
1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole
CID 140759923
9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole
CID 140822602
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole?
The IUPAC name of 1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole (CID 140760424) is 1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole.
What is the SMILES notation for 1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole?
The canonical SMILES for 1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole is [C-]#[N+]c1ccc2c(c1)c1cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c1n2-c1ccccc1[N+]#[C-].
What is the InChIKey of 1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole?
The InChIKey is UZKFTLDBHFBRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c1-39-26-21-22-36-32(24-26)31-16-10-15-28(38(31)42(36)37-20-8-5-17-33(37)40-2)25-11-9-12-27(23-25)41-34-18-6-3-13-29(34)30-14-4-7-19-35(30)41/h3-24H.
What are the key properties of 1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole?
1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole has a molecular weight of 534.62 g/mol, XLogP of 10.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole is sourced from PubChem (CID 140760424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).