8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole

C42H25N3O — CID 142570474

IUPAC8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc3ccccc3nc2-n2c3ccc4ccccc4c3c3cccc(-c4ccc5c(c4)oc4ccccc45)c32)cc1
InChIInChI=1S/C42H25N3O/c1-2-12-27(13-3-1)40-42(44-35-19-8-7-18-34(35)43-40)45-36-24-22-26-11-4-5-14-29(26)39(36)33-17-10-16-30(41(33)45)28-21-23-32-31-15-6-9-20-37(31)46-38(32)25-28/h1-25H
InChIKeyAGCPJMYTJHEOBK-UHFFFAOYSA-N
MW587.68 g/mol
LogP11.11
Rot. Bonds3

About 8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole

8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole (PubChem CID 142570474) has the molecular formula C42H25N3O and a molecular weight of 587.68 g/mol. Its IUPAC name is 8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
PubChem CID142570474
Molecular FormulaC42H25N3O
Molecular Weight587.68 g/mol
Exact Mass587.20
IUPAC Name8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc3ccccc3nc2-n2c3ccc4ccccc4c3c3cccc(-c4ccc5c(c4)oc4ccccc45)c32)cc1
InChIInChI=1S/C42H25N3O/c1-2-12-27(13-3-1)40-42(44-35-19-8-7-18-34(35)43-40)45-36-24-22-26-11-4-5-14-29(26)39(36)33-17-10-16-30(41(33)45)28-21-23-32-31-15-6-9-20-37(31)46-38(32)25-28/h1-25H
InChIKeyAGCPJMYTJHEOBK-UHFFFAOYSA-N
XLogP11.11
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-dibenzofuran-2-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
CID 142571164
8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 142569722
8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 142570283
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135
12-(3-phenylquinoxalin-2-yl)-16-oxa-12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155020585
7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzofuran-10-ylbenzo[c]carbazole
CID 142571239
8-dibenzofuran-2-yl-7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570296
8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane
CID 142569627
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
7-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163967651
12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene
CID 170381299
29-(3-phenylquinoxalin-2-yl)-30-oxa-29-azaoctacyclo[24.2.1.120,23.02,7.09,28.010,15.016,21.022,27]triaconta-1(28),2,4,6,8,10,12,14,16(21),17,19,22,24,26-tetradecaene
CID 163482213

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole?
The IUPAC name of 8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole (CID 142570474) is 8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole?
The canonical SMILES for 8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole is c1ccc(-c2nc3ccccc3nc2-n2c3ccc4ccccc4c3c3cccc(-c4ccc5c(c4)oc4ccccc45)c32)cc1.
What is the InChIKey of 8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole?
The InChIKey is AGCPJMYTJHEOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3O/c1-2-12-27(13-3-1)40-42(44-35-19-8-7-18-34(35)43-40)45-36-24-22-26-11-4-5-14-29(26)39(36)33-17-10-16-30(41(33)45)28-21-23-32-31-15-6-9-20-37(31)46-38(32)25-28/h1-25H.
What are the key properties of 8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole?
8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole has a molecular weight of 587.68 g/mol, XLogP of 11.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 142570474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).