9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole

C38H22N4 — CID 159275273

IUPAC9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccccc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C38H22N4/c1-39-25-19-21-37-31(23-25)32-24-26(40-2)20-22-38(32)42(37)36-18-10-6-14-30(36)29-13-5-9-17-35(29)41-33-15-7-3-11-27(33)28-12-4-8-16-34(28)41/h3-24H
InChIKeyYQGVOUFQRZMGPM-UHFFFAOYSA-N
MW534.62 g/mol
LogP10.65
Rot. Bonds3

About 9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole

9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole (PubChem CID 159275273) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole.

Molecular Properties

Compound Name9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole
PubChem CID159275273
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccccc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C38H22N4/c1-39-25-19-21-37-31(23-25)32-24-26(40-2)20-22-38(32)42(37)36-18-10-6-14-30(36)29-13-5-9-17-35(29)41-33-15-7-3-11-27(33)28-12-4-8-16-34(28)41/h3-24H
InChIKeyYQGVOUFQRZMGPM-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-[2-(2-carbazol-9-ylphenyl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159259962
10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine
CID 140761319
9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole
CID 167403954
3-carbazol-9-yl-9-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 162702859
9-[2-(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-isocyanocarbazole
CID 155761350
9-[4-[2-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]phenyl]-3-isocyanocarbazole
CID 155604073
9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-3-isocyanocarbazole
CID 155604204
9-[4-cyano-2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167401161
14-[2-(2-carbazol-9-yl-5-isocyanophenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140794108
5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155604262
9-[2-[4-(3-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]-2-isocyanocarbazole
CID 155603872
2-(4-carbazol-9-ylphenyl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155603947

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole?
The IUPAC name of 9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole (CID 159275273) is 9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole.
What is the SMILES notation for 9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole?
The canonical SMILES for 9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole is [C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccccc1-c1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole?
The InChIKey is YQGVOUFQRZMGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c1-39-25-19-21-37-31(23-25)32-24-26(40-2)20-22-38(32)42(37)36-18-10-6-14-30(36)29-13-5-9-17-35(29)41-33-15-7-3-11-27(33)28-12-4-8-16-34(28)41/h3-24H.
What are the key properties of 9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole?
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole 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 9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole is sourced from PubChem (CID 159275273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).