8-[3-[3-(3-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline

C39H29N3O — CID 163857607

IUPAC8-[3-[3-(3-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
SMILESCC1C=Cc2c(c3c(n2-c2cccc(-c4cccc(-c5ccc6nc7c(nc6c5)oc5ccccc57)c4)c2)C=CCC3)C1
InChIInChI=1S/C39H29N3O/c1-24-16-19-36-32(20-24)30-12-2-4-14-35(30)42(36)29-11-7-10-27(22-29)25-8-6-9-26(21-25)28-17-18-33-34(23-28)41-39-38(40-33)31-13-3-5-15-37(31)43-39/h3-11,13-19,21-24H,2,12,20H2,1H3
InChIKeyOZRBOFAPIMVRDB-UHFFFAOYSA-N
MW555.68 g/mol
LogP9.82
Rot. Bonds3

About 8-[3-[3-(3-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline

8-[3-[3-(3-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline (PubChem CID 163857607) has the molecular formula C39H29N3O and a molecular weight of 555.68 g/mol. Its IUPAC name is 8-[3-[3-(3-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline.

Molecular Properties

Compound Name8-[3-[3-(3-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
PubChem CID163857607
Molecular FormulaC39H29N3O
Molecular Weight555.68 g/mol
Exact Mass555.23
IUPAC Name8-[3-[3-(3-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
SMILESCC1C=Cc2c(c3c(n2-c2cccc(-c4cccc(-c5ccc6nc7c(nc6c5)oc5ccccc57)c4)c2)C=CCC3)C1
InChIInChI=1S/C39H29N3O/c1-24-16-19-36-32(20-24)30-12-2-4-14-35(30)42(36)29-11-7-10-27(22-29)25-8-6-9-26(21-25)28-17-18-33-34(23-28)41-39-38(40-33)31-13-3-5-15-37(31)43-39/h3-11,13-19,21-24H,2,12,20H2,1H3
InChIKeyOZRBOFAPIMVRDB-UHFFFAOYSA-N
XLogP9.82
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.68
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[3-[3-(3-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline with MolForge

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Related Compounds

2,9-bis(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273510
2-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
CID 134273458
9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 174291367
2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273507
2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273485
5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146532365
6-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)-3,4-dihydrocarbazole
CID 144639948
9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109
2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
CID 134273405
9-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]phenyl]-3,4,5,6-tetrahydrocarbazole
CID 174246903
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
5-[3-[3-(8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole
CID 154556268

Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-(3-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline?
The IUPAC name of 8-[3-[3-(3-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline (CID 163857607) is 8-[3-[3-(3-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline.
What is the SMILES notation for 8-[3-[3-(3-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline?
The canonical SMILES for 8-[3-[3-(3-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline is CC1C=Cc2c(c3c(n2-c2cccc(-c4cccc(-c5ccc6nc7c(nc6c5)oc5ccccc57)c4)c2)C=CCC3)C1.
What is the InChIKey of 8-[3-[3-(3-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline?
The InChIKey is OZRBOFAPIMVRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N3O/c1-24-16-19-36-32(20-24)30-12-2-4-14-35(30)42(36)29-11-7-10-27(22-29)25-8-6-9-26(21-25)28-17-18-33-34(23-28)41-39-38(40-33)31-13-3-5-15-37(31)43-39/h3-11,13-19,21-24H,2,12,20H2,1H3.
What are the key properties of 8-[3-[3-(3-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline?
8-[3-[3-(3-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline has a molecular weight of 555.68 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[3-(3-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline is sourced from PubChem (CID 163857607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).