2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline

C58H34N4O — CID 134273507

IUPAC2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
SMILESc1cc(-c2ccc3nc4oc5ccc(-c6cccc(-n7c8ccccc8c8c9ccccc9ccc87)c6)cc5c4nc3c2)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C58H34N4O/c1-3-17-43-35(11-1)24-28-52-55(43)45-19-5-7-21-50(45)61(52)41-15-9-13-37(31-41)39-26-30-54-47(33-39)57-58(63-54)60-48-27-23-40(34-49(48)59-57)38-14-10-16-42(32-38)62-51-22-8-6-20-46(51)56-44-18-4-2-12-36(44)25-29-53(56)62/h1-34H
InChIKeySTHLPHFJGMLPFI-UHFFFAOYSA-N
MW802.94 g/mol
LogP15.36
Rot. Bonds4

About 2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline

2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline (PubChem CID 134273507) has the molecular formula C58H34N4O and a molecular weight of 802.94 g/mol. Its IUPAC name is 2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline.

Molecular Properties

Compound Name2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
PubChem CID134273507
Molecular FormulaC58H34N4O
Molecular Weight802.94 g/mol
Exact Mass802.27
IUPAC Name2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
SMILESc1cc(-c2ccc3nc4oc5ccc(-c6cccc(-n7c8ccccc8c8c9ccccc9ccc87)c6)cc5c4nc3c2)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C58H34N4O/c1-3-17-43-35(11-1)24-28-52-55(43)45-19-5-7-21-50(45)61(52)41-15-9-13-37(31-41)39-26-30-54-47(33-39)57-58(63-54)60-48-27-23-40(34-49(48)59-57)38-14-10-16-42(32-38)62-51-22-8-6-20-46(51)56-44-18-4-2-12-36(44)25-29-53(56)62/h1-34H
InChIKeySTHLPHFJGMLPFI-UHFFFAOYSA-N
XLogP15.36
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.94
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
CID 134273458
19-[3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-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 139337609
2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273485
2,9-bis(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273510
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
10-(3-benzo[c]carbazol-7-ylphenyl)-1,2-diphenylnaphtho[1,2-e]benzimidazole
CID 138746461
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenanthren-3-ylbenzo[c]carbazole
CID 131979656
7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171
7-[3-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166915910
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305806
14-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 137442487
9-(3-dibenzofuran-2-ylquinoxalin-2-yl)-14-phenyl-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;9-(3,7-diphenylquinoxalin-2-yl)-14-phenyl-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;9-(3-naphthalen-1-ylquinoxalin-2-yl)-14-phenyl-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;9-(3-naphthalen-2-ylquinoxalin-2-yl)-14-phenyl-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;9-(3-phenylquinoxalin-2-yl)-14-triphenylen-2-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 160675206

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline?
The IUPAC name of 2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline (CID 134273507) is 2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline.
What is the SMILES notation for 2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline?
The canonical SMILES for 2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline is c1cc(-c2ccc3nc4oc5ccc(-c6cccc(-n7c8ccccc8c8c9ccccc9ccc87)c6)cc5c4nc3c2)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1.
What is the InChIKey of 2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline?
The InChIKey is STHLPHFJGMLPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4O/c1-3-17-43-35(11-1)24-28-52-55(43)45-19-5-7-21-50(45)61(52)41-15-9-13-37(31-41)39-26-30-54-47(33-39)57-58(63-54)60-48-27-23-40(34-49(48)59-57)38-14-10-16-42(32-38)62-51-22-8-6-20-46(51)56-44-18-4-2-12-36(44)25-29-53(56)62/h1-34H.
What are the key properties of 2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline?
2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline has a molecular weight of 802.94 g/mol, XLogP of 15.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline is sourced from PubChem (CID 134273507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).