5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole

C36H21N3O — CID 139361976

IUPAC5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2ccccc2nc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C36H21N3O/c1-2-11-23-21-31-27(20-22(23)10-1)24-12-3-7-17-30(24)39(31)36-35(37-28-15-5-6-16-29(28)38-36)26-14-9-19-33-34(26)25-13-4-8-18-32(25)40-33/h1-21H
InChIKeyMYMRAZIVOXBGCY-UHFFFAOYSA-N
MW511.58 g/mol
LogP9.45
Rot. Bonds2

About 5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole

5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole (PubChem CID 139361976) has the molecular formula C36H21N3O and a molecular weight of 511.58 g/mol. Its IUPAC name is 5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
PubChem CID139361976
Molecular FormulaC36H21N3O
Molecular Weight511.58 g/mol
Exact Mass511.17
IUPAC Name5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2ccccc2nc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C36H21N3O/c1-2-11-23-21-31-27(20-22(23)10-1)24-12-3-7-17-30(24)39(31)36-35(37-28-15-5-6-16-29(28)38-36)26-14-9-19-33-34(26)25-13-4-8-18-32(25)40-33/h1-21H
InChIKeyMYMRAZIVOXBGCY-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

11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375025
9-(3-dibenzofuran-1-ylquinoxalin-2-yl)carbazole
CID 166849499
2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine
CID 146391818
13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 162472796
11-benzo[b]carbazol-5-yl-5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 146374584
12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 139361745
7-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)quinoxalin-2-yl]benzo[c]carbazole
CID 167289441
2-dibenzofuran-4-yl-5-[3-(5-phenylbenzo[b]carbazol-8-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 147851338
16-[3-(2-phenylphenyl)quinoxalin-2-yl]-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155020559
4-dibenzofuran-4-yl-5-(3-phenylquinoxalin-2-yl)benzo[b]carbazole
CID 142569867
7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375343
10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375388

Frequently Asked Questions

What is the IUPAC name of 5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole?
The IUPAC name of 5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole (CID 139361976) is 5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole?
The canonical SMILES for 5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2ccccc2nc1-c1cccc2oc3ccccc3c12.
What is the InChIKey of 5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole?
The InChIKey is MYMRAZIVOXBGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3O/c1-2-11-23-21-31-27(20-22(23)10-1)24-12-3-7-17-30(24)39(31)36-35(37-28-15-5-6-16-29(28)38-36)26-14-9-19-33-34(26)25-13-4-8-18-32(25)40-33/h1-21H.
What are the key properties of 5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole?
5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole 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 5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 139361976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).