5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole

C54H34N4 — CID 139361945

IUPAC5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc3nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c(-n4c5ccccc5c5cc6ccccc6cc54)nc3cc2-c2ccccc2)cc1
InChIInChI=1S/C54H34N4/c1-4-16-35(17-5-1)44-33-47-48(34-45(44)36-18-6-2-7-19-36)56-54(58-50-27-15-13-25-42(50)46-30-37-20-10-11-21-38(37)31-52(46)58)53(55-47)39-28-29-43-41-24-12-14-26-49(41)57(51(43)32-39)40-22-8-3-9-23-40/h1-34H
InChIKeyYQOICUSIEQVIJX-UHFFFAOYSA-N
MW738.89 g/mol
LogP13.98
Rot. Bonds5

About 5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole

5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole (PubChem CID 139361945) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole
PubChem CID139361945
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc3nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c(-n4c5ccccc5c5cc6ccccc6cc54)nc3cc2-c2ccccc2)cc1
InChIInChI=1S/C54H34N4/c1-4-16-35(17-5-1)44-33-47-48(34-45(44)36-18-6-2-7-19-36)56-54(58-50-27-15-13-25-42(50)46-30-37-20-10-11-21-38(37)31-52(46)58)53(55-47)39-28-29-43-41-24-12-14-26-49(41)57(51(43)32-39)40-22-8-3-9-23-40/h1-34H
InChIKeyYQOICUSIEQVIJX-UHFFFAOYSA-N
XLogP13.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114403
5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole
CID 146540047
5-(7-dibenzothiophen-4-yl-3,6-diphenylquinoxalin-2-yl)-3-naphthalen-2-ylbenzo[b]carbazole;5-[3,7-diphenyl-6-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-3-phenylbenzo[b]carbazole;5-[3,6-diphenyl-7-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-3-(4-phenylphenyl)benzo[b]carbazole
CID 161023733
2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole
CID 157299308
2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole
CID 155114289
2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole
CID 90321601
27-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-27-azaoctacyclo[17.7.1.04,25.07,24.010,23.013,22.016,21.020,26]heptacosa-1(26),2,4(25),5,7(24),8,10(23),11,13(22),14,16(21),17,19-tridecaene
CID 162770212
5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole
CID 139361909
5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole
CID 139361418
5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole
CID 146539824
15-[6-[3-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)quinoxalin-2-yl]-9-phenylcarbazol-2-yl]-3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene
CID 138708919
2-dibenzofuran-4-yl-5-[3-(5-phenylbenzo[b]carbazol-8-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 147851338

Frequently Asked Questions

What is the IUPAC name of 5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole (CID 139361945) is 5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole is c1ccc(-c2cc3nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c(-n4c5ccccc5c5cc6ccccc6cc54)nc3cc2-c2ccccc2)cc1.
What is the InChIKey of 5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole?
The InChIKey is YQOICUSIEQVIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-4-16-35(17-5-1)44-33-47-48(34-45(44)36-18-6-2-7-19-36)56-54(58-50-27-15-13-25-42(50)46-30-37-20-10-11-21-38(37)31-52(46)58)53(55-47)39-28-29-43-41-24-12-14-26-49(41)57(51(43)32-39)40-22-8-3-9-23-40/h1-34H.
What are the key properties of 5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole?
5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole has a molecular weight of 738.89 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 139361945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).