4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole

C37H23N3 — CID 140760363

IUPAC4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole
SMILES[C-]#[N+]c1ccccc1-n1c2ccccc2c2c(-c3ccccc3-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C37H23N3/c1-38-30-18-6-11-23-35(30)40-34-22-10-5-16-29(34)37-28(17-12-24-36(37)40)27-15-4-9-21-33(27)39-31-19-7-2-13-25(31)26-14-3-8-20-32(26)39/h2-24H
InChIKeyRECHPTJQSMYNOZ-UHFFFAOYSA-N
MW509.61 g/mol
LogP10.10
Rot. Bonds3

About 4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole

4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole (PubChem CID 140760363) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole
PubChem CID140760363
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole
SMILES[C-]#[N+]c1ccccc1-n1c2ccccc2c2c(-c3ccccc3-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C37H23N3/c1-38-30-18-6-11-23-35(30)40-34-22-10-5-16-29(34)37-28(17-12-24-36(37)40)27-15-4-9-21-33(27)39-31-19-7-2-13-25(31)26-14-3-8-20-32(26)39/h2-24H
InChIKeyRECHPTJQSMYNOZ-UHFFFAOYSA-N
XLogP10.10
TPSA14.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 510.10
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

2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole
CID 140760231
1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole
CID 140759923
9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole
CID 169076296
9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole
CID 177114986
2-[2-(2-carbazol-9-ylphenyl)phenyl]-6-(1-isocyanocarbazol-9-yl)benzonitrile
CID 155604997
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole
CID 159275273
4-carbazol-9-yl-5-fluoro-9-(2-isocyanophenyl)carbazole;5-carbazol-9-yl-2-fluoro-9-(2-isocyanophenyl)carbazole;9-(2-isocyanophenyl)-4-(2-phenylcarbazol-9-yl)carbazole;9-(2-isocyanophenyl)-4-(4-phenylcarbazol-9-yl)carbazole
CID 160805583
9-[4-isocyano-3-[2-[2-(4-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604005
2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole
CID 140760353
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-4-isocyanocarbazole
CID 155603973
14-[2-(4-carbazol-9-yl-3-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 140794267
9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole
CID 155604969

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole (CID 140760363) is 4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole is [C-]#[N+]c1ccccc1-n1c2ccccc2c2c(-c3ccccc3-n3c4ccccc4c4ccccc43)cccc21.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole?
The InChIKey is RECHPTJQSMYNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c1-38-30-18-6-11-23-35(30)40-34-22-10-5-16-29(34)37-28(17-12-24-36(37)40)27-15-4-9-21-33(27)39-31-19-7-2-13-25(31)26-14-3-8-20-32(26)39/h2-24H.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole?
4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole has a molecular weight of 509.61 g/mol, XLogP of 10.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole is sourced from PubChem (CID 140760363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).