5-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole

C36H23N3 — CID 153485336

IUPAC5-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc3ccccc3nc2-n2c3cc4ccccc4cc3c3c(-c4ccccc4)cccc32)c([2H])c1[2H]
InChIInChI=1S/C36H23N3/c1-3-12-24(13-4-1)28-18-11-21-32-34(28)29-22-26-16-7-8-17-27(26)23-33(29)39(32)36-35(25-14-5-2-6-15-25)37-30-19-9-10-20-31(30)38-36/h1-23H/i2D,5D,6D,14D,15D
InChIKeyQQOKEXVEFLWVJW-HZYQAWBHSA-N
MW502.63 g/mol
LogP9.21
Rot. Bonds3

About 5-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole

5-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole (PubChem CID 153485336) has the molecular formula C36H23N3 and a molecular weight of 502.63 g/mol. Its IUPAC name is 5-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole.

Molecular Properties

Compound Name5-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole
PubChem CID153485336
Molecular FormulaC36H23N3
Molecular Weight502.63 g/mol
Exact Mass502.22
IUPAC Name5-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc3ccccc3nc2-n2c3cc4ccccc4cc3c3c(-c4ccccc4)cccc32)c([2H])c1[2H]
InChIInChI=1S/C36H23N3/c1-3-12-24(13-4-1)28-18-11-21-32-34(28)29-22-26-16-7-8-17-27(26)23-33(29)39(32)36-35(25-14-5-2-6-15-25)37-30-19-9-10-20-31(30)38-36/h1-23H/i2D,5D,6D,14D,15D
InChIKeyQQOKEXVEFLWVJW-HZYQAWBHSA-N
XLogP9.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.63
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114249
2-[4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[3,2-d]pyrimidin-2-yl]-5-(1-phenylbenzo[b]carbazol-5-yl)benzonitrile
CID 153485331
19-phenyl-23-[3-(3-phenylphenyl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 139497799
17-phenyl-23-[3-(3-phenylphenyl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene
CID 139497871
1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 146539955
23-(3-naphthalen-2-ylquinoxalin-2-yl)-3-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2,4,6,8(13),9,11,14,16,18(22),19-undecaene
CID 164840602
5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 139361992
1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375248
5-[2-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[g]carbazol-9-yl]quinazolin-4-yl]-1-phenylbenzo[b]carbazole;3-phenanthren-9-yl-5-[2-(9-phenylcarbazol-1-yl)quinazolin-4-yl]benzo[b]carbazole;3-phenyl-5-[2-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-4-yl]benzo[b]carbazole
CID 158424109
9-naphthalen-1-yl-12-[3-(4-phenylphenyl)quinoxalin-2-yl]-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 129149761
11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 146374584
13-(3-phenylquinoxalin-2-yl)-13,31-diazanonacyclo[15.15.0.02,14.03,12.04,9.05,31.020,32.021,30.023,28]dotriaconta-1(17),2(14),3(12),4(9),5,7,10,15,18,20(32),21,23,25,27,29-pentadecaene
CID 170399481

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole?
The IUPAC name of 5-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole (CID 153485336) is 5-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole.
What is the SMILES notation for 5-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole?
The canonical SMILES for 5-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole is [2H]c1c([2H])c([2H])c(-c2nc3ccccc3nc2-n2c3cc4ccccc4cc3c3c(-c4ccccc4)cccc32)c([2H])c1[2H].
What is the InChIKey of 5-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole?
The InChIKey is QQOKEXVEFLWVJW-HZYQAWBHSA-N. The full InChI is InChI=1S/C36H23N3/c1-3-12-24(13-4-1)28-18-11-21-32-34(28)29-22-26-16-7-8-17-27(26)23-33(29)39(32)36-35(25-14-5-2-6-15-25)37-30-19-9-10-20-31(30)38-36/h1-23H/i2D,5D,6D,14D,15D.
What are the key properties of 5-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole?
5-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole has a molecular weight of 502.63 g/mol, XLogP of 9.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole is sourced from PubChem (CID 153485336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).