2-(11-phenylbenzo[a]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoxaline

C36H21N3O — CID 134273433

IUPAC2-(11-phenylbenzo[a]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoxaline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6nc7ccccc7nc6c5c4)c4ccccc4c32)cc1
InChIInChI=1S/C36H21N3O/c1-2-10-23(11-3-1)39-32-17-9-6-13-25(32)28-21-27(24-12-4-5-14-26(24)35(28)39)22-18-19-33-29(20-22)34-36(40-33)38-31-16-8-7-15-30(31)37-34/h1-21H
InChIKeyDBSDJBVUPKLSGP-UHFFFAOYSA-N
MW511.58 g/mol
LogP9.45
Rot. Bonds2

About 2-(11-phenylbenzo[a]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoxaline

2-(11-phenylbenzo[a]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoxaline (PubChem CID 134273433) has the molecular formula C36H21N3O and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-(11-phenylbenzo[a]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoxaline.

Molecular Properties

Compound Name2-(11-phenylbenzo[a]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoxaline
PubChem CID134273433
Molecular FormulaC36H21N3O
Molecular Weight511.58 g/mol
Exact Mass511.17
IUPAC Name2-(11-phenylbenzo[a]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoxaline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6nc7ccccc7nc6c5c4)c4ccccc4c32)cc1
InChIInChI=1S/C36H21N3O/c1-2-10-23(11-3-1)39-32-17-9-6-13-25(32)28-21-27(24-12-4-5-14-26(24)35(28)39)22-18-19-33-29(20-22)34-36(40-33)38-31-16-8-7-15-30(31)37-34/h1-21H
InChIKeyDBSDJBVUPKLSGP-UHFFFAOYSA-N
XLogP9.45
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
CID 134273458
5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole
CID 134353213
1-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768360
5-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-dibenzothiophen-2-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenyl-5-[9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazol-2-yl]benzo[a]carbazole
CID 162105305
5-[4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]-11-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[a]carbazole
CID 138701994
19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene
CID 139337205
2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273507
11-[3-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
CID 138662821
1-dibenzofuran-3-yl-9-phenylcarbazole
CID 137466533
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 129061317
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
CID 134530399

Frequently Asked Questions

What is the IUPAC name of 2-(11-phenylbenzo[a]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoxaline?
The IUPAC name of 2-(11-phenylbenzo[a]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoxaline (CID 134273433) is 2-(11-phenylbenzo[a]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoxaline.
What is the SMILES notation for 2-(11-phenylbenzo[a]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoxaline?
The canonical SMILES for 2-(11-phenylbenzo[a]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoxaline is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6nc7ccccc7nc6c5c4)c4ccccc4c32)cc1.
What is the InChIKey of 2-(11-phenylbenzo[a]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoxaline?
The InChIKey is DBSDJBVUPKLSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3O/c1-2-10-23(11-3-1)39-32-17-9-6-13-25(32)28-21-27(24-12-4-5-14-26(24)35(28)39)22-18-19-33-29(20-22)34-36(40-33)38-31-16-8-7-15-30(31)37-34/h1-21H.
What are the key properties of 2-(11-phenylbenzo[a]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoxaline?
2-(11-phenylbenzo[a]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoxaline has a molecular weight of 511.58 g/mol, XLogP of 9.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-phenylbenzo[a]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoxaline is sourced from PubChem (CID 134273433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).