6-carbazol-9-yl-5-quinoxalin-2-yl-[1]benzofuro[3,2-c]carbazole

C38H22N4O — CID 148932709

IUPAC6-carbazol-9-yl-5-quinoxalin-2-yl-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2nc(-n3c4ccccc4c4c5oc6ccccc6c5cc(-n5c6ccccc6c6ccccc65)c43)cnc2c1
InChIInChI=1S/C38H22N4O/c1-7-17-30-23(11-1)24-12-2-8-18-31(24)41(30)33-21-27-25-13-4-10-20-34(25)43-38(27)36-26-14-3-9-19-32(26)42(37(33)36)35-22-39-28-15-5-6-16-29(28)40-35/h1-22H
InChIKeyPMGHWYOZOZOIQK-UHFFFAOYSA-N
MW550.62 g/mol
LogP9.72
Rot. Bonds2

About 6-carbazol-9-yl-5-quinoxalin-2-yl-[1]benzofuro[3,2-c]carbazole

6-carbazol-9-yl-5-quinoxalin-2-yl-[1]benzofuro[3,2-c]carbazole (PubChem CID 148932709) has the molecular formula C38H22N4O and a molecular weight of 550.62 g/mol. Its IUPAC name is 6-carbazol-9-yl-5-quinoxalin-2-yl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name6-carbazol-9-yl-5-quinoxalin-2-yl-[1]benzofuro[3,2-c]carbazole
PubChem CID148932709
Molecular FormulaC38H22N4O
Molecular Weight550.62 g/mol
Exact Mass550.18
IUPAC Name6-carbazol-9-yl-5-quinoxalin-2-yl-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2nc(-n3c4ccccc4c4c5oc6ccccc6c5cc(-n5c6ccccc6c6ccccc65)c43)cnc2c1
InChIInChI=1S/C38H22N4O/c1-7-17-30-23(11-1)24-12-2-8-18-31(24)41(30)33-21-27-25-13-4-10-20-34(25)43-38(27)36-26-14-3-9-19-32(26)42(37(33)36)35-22-39-28-15-5-6-16-29(28)40-35/h1-22H
InChIKeyPMGHWYOZOZOIQK-UHFFFAOYSA-N
XLogP9.72
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.62
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11,35-dioxa-20,26-diaza-1-boratridecacyclo[23.19.1.12,13.126,33.04,12.05,10.014,19.021,45.027,32.034,42.036,41.020,47.044,46]heptatetraconta-2,4(12),5,7,9,13(47),14,16,18,21(45),22,24,27,29,31,33(46),34(42),36,38,40,43-henicosaene
CID 170519844
12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole
CID 122427693
9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole
CID 147932592
9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole
CID 153300022
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 139555564
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]carbazole
CID 134252545
17-oxa-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaen-5-ol
CID 148945291
6-pyridazin-3-yl-5-quinoxalin-2-ylindolo[2,3-b]indole
CID 144596272
18-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126577861
9-(9-dibenzofuran-1-ylcarbazol-4-yl)-14-quinolin-3-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134352644
4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121307317
3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 59413710

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-5-quinoxalin-2-yl-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 6-carbazol-9-yl-5-quinoxalin-2-yl-[1]benzofuro[3,2-c]carbazole (CID 148932709) is 6-carbazol-9-yl-5-quinoxalin-2-yl-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 6-carbazol-9-yl-5-quinoxalin-2-yl-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 6-carbazol-9-yl-5-quinoxalin-2-yl-[1]benzofuro[3,2-c]carbazole is c1ccc2nc(-n3c4ccccc4c4c5oc6ccccc6c5cc(-n5c6ccccc6c6ccccc65)c43)cnc2c1.
What is the InChIKey of 6-carbazol-9-yl-5-quinoxalin-2-yl-[1]benzofuro[3,2-c]carbazole?
The InChIKey is PMGHWYOZOZOIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O/c1-7-17-30-23(11-1)24-12-2-8-18-31(24)41(30)33-21-27-25-13-4-10-20-34(25)43-38(27)36-26-14-3-9-19-32(26)42(37(33)36)35-22-39-28-15-5-6-16-29(28)40-35/h1-22H.
What are the key properties of 6-carbazol-9-yl-5-quinoxalin-2-yl-[1]benzofuro[3,2-c]carbazole?
6-carbazol-9-yl-5-quinoxalin-2-yl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 550.62 g/mol, XLogP of 9.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-5-quinoxalin-2-yl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 148932709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).