4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile

C38H22N4 — CID 140760365

IUPAC4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile
SMILES[C-]#[N+]c1ccc2c(c1)c1ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc1n2-c1ccc(C#N)cc1
InChIInChI=1S/C38H22N4/c1-40-27-17-21-37-33(23-27)32-20-16-26(22-38(32)41(37)28-18-14-25(24-39)15-19-28)29-8-2-5-11-34(29)42-35-12-6-3-9-30(35)31-10-4-7-13-36(31)42/h2-23H
InChIKeyPBNUOCUGUGKCOA-UHFFFAOYSA-N
MW534.62 g/mol
LogP9.97
Rot. Bonds3

About 4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile

4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile (PubChem CID 140760365) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile
PubChem CID140760365
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile
SMILES[C-]#[N+]c1ccc2c(c1)c1ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc1n2-c1ccc(C#N)cc1
InChIInChI=1S/C38H22N4/c1-40-27-17-21-37-33(23-27)32-20-16-26(22-38(32)41(37)28-18-14-25(24-39)15-19-28)29-8-2-5-11-34(29)42-35-12-6-3-9-30(35)31-10-4-7-13-36(31)42/h2-23H
InChIKeyPBNUOCUGUGKCOA-UHFFFAOYSA-N
XLogP9.97
TPSA38.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
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-[4-[2-cyano-3-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603746
9-[4-[3-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile
CID 155603716
9-[2-(2-carbazol-9-ylphenyl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159259962
5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155604262
3-carbazol-9-yl-5-[4-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile
CID 155604698
9-[3-cyano-2-[2-[4-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603584
9-[3-cyano-2-[2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604119
9-[3-[2-(2-carbazol-9-ylphenyl)-4-isocyanophenyl]phenyl]-7-isocyanocarbazole-3-carbonitrile
CID 155603912
2-(4-carbazol-9-ylphenyl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155603947
3-(2-carbazol-9-ylphenyl)-2-[4-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155604462

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile?
The IUPAC name of 4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile (CID 140760365) is 4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile?
The canonical SMILES for 4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile is [C-]#[N+]c1ccc2c(c1)c1ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc1n2-c1ccc(C#N)cc1.
What is the InChIKey of 4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile?
The InChIKey is PBNUOCUGUGKCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c1-40-27-17-21-37-33(23-27)32-20-16-26(22-38(32)41(37)28-18-14-25(24-39)15-19-28)29-8-2-5-11-34(29)42-35-12-6-3-9-30(35)31-10-4-7-13-36(31)42/h2-23H.
What are the key properties of 4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile?
4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile has a molecular weight of 534.62 g/mol, XLogP of 9.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile is sourced from PubChem (CID 140760365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).