9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole

C32H21N3 — CID 122441349

IUPAC9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cnc3ccccc3n2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C32H21N3/c1-2-10-25(30-21-33-28-13-5-6-14-29(28)34-30)24(9-1)22-17-19-23(20-18-22)35-31-15-7-3-11-26(31)27-12-4-8-16-32(27)35/h1-21H
InChIKeyLJDVZPKCPAFQFF-UHFFFAOYSA-N
MW447.54 g/mol
LogP8.06
Rot. Bonds3

About 9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole

9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole (PubChem CID 122441349) has the molecular formula C32H21N3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole
PubChem CID122441349
Molecular FormulaC32H21N3
Molecular Weight447.54 g/mol
Exact Mass447.17
IUPAC Name9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cnc3ccccc3n2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C32H21N3/c1-2-10-25(30-21-33-28-13-5-6-14-29(28)34-30)24(9-1)22-17-19-23(20-18-22)35-31-15-7-3-11-26(31)27-12-4-8-16-32(27)35/h1-21H
InChIKeyLJDVZPKCPAFQFF-UHFFFAOYSA-N
XLogP8.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-9-[4-(4-quinoxalin-2-ylphenyl)phenyl]carbazole
CID 172765274
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
12-[4-(3-quinoxalin-2-ylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 137425800
9-[4-[2-(4-carbazol-9-ylphenyl)quinolin-4-yl]phenyl]carbazole
CID 90272257
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 23527808
N,N-diphenyl-4-[9-(4-quinoxalin-2-ylphenyl)carbazol-3-yl]aniline
CID 135252509
9-[4-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425258
9-[4-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501295
9-[4-(4-chloroquinazolin-2-yl)phenyl]carbazole
CID 118667542
15,15-dimethyl-19-(4-quinoxalin-2-ylphenyl)-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118892073
9-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]carbazole
CID 58273441
9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole
CID 59702533

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole?
The IUPAC name of 9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole (CID 122441349) is 9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole?
The canonical SMILES for 9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole is c1ccc(-c2cnc3ccccc3n2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of 9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole?
The InChIKey is LJDVZPKCPAFQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3/c1-2-10-25(30-21-33-28-13-5-6-14-29(28)34-30)24(9-1)22-17-19-23(20-18-22)35-31-15-7-3-11-26(31)27-12-4-8-16-32(27)35/h1-21H.
What are the key properties of 9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole?
9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole has a molecular weight of 447.54 g/mol, XLogP of 8.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-quinoxalin-2-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 122441349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).