2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole

C37H23N3 — CID 123269326

IUPAC2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)cc1
InChIInChI=1S/C37H23N3/c1-38-27-17-19-29(20-18-27)39-35-14-8-6-12-31(35)33-23-25(16-22-36(33)39)26-15-21-32-30-11-5-7-13-34(30)40(37(32)24-26)28-9-3-2-4-10-28/h2-24H
InChIKeySEVXOKCWAHYLLL-UHFFFAOYSA-N
MW509.61 g/mol
LogP10.10
Rot. Bonds3

About 2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole

2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 123269326) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID123269326
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)cc1
InChIInChI=1S/C37H23N3/c1-38-27-17-19-29(20-18-27)39-35-14-8-6-12-31(35)33-23-25(16-22-36(33)39)26-15-21-32-30-11-5-7-13-34(30)40(37(32)24-26)28-9-3-2-4-10-28/h2-24H
InChIKeySEVXOKCWAHYLLL-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

3-[9-(4-isocyanophenyl)carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 140708240
2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 123239087
2-[9-(2-carbazol-9-yl-4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158455093
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-[9-[4-[4-(4-isocyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 123503758
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole (CID 123269326) is 2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole is [C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)cc1.
What is the InChIKey of 2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is SEVXOKCWAHYLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c1-38-27-17-19-29(20-18-27)39-35-14-8-6-12-31(35)33-23-25(16-22-36(33)39)26-15-21-32-30-11-5-7-13-34(30)40(37(32)24-26)28-9-3-2-4-10-28/h2-24H.
What are the key properties of 2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole?
2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole 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 2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 123269326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).