5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole

C56H36N4 — CID 154952283

IUPAC5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c4nc3-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C56H36N4/c1-4-15-37(16-5-1)39-27-31-41(32-28-39)54-55(42-33-29-40(30-34-42)38-17-6-2-7-18-38)58-56-48(57-54)23-14-26-51(56)60-50-25-13-11-22-45(50)47-35-46-44-21-10-12-24-49(44)59(52(46)36-53(47)60)43-19-8-3-9-20-43/h1-36H
InChIKeyUYZCUASOGZBEBR-UHFFFAOYSA-N
MW764.93 g/mol
LogP14.49
Rot. Bonds6

About 5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole

5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 154952283) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole
PubChem CID154952283
Molecular FormulaC56H36N4
Molecular Weight764.93 g/mol
Exact Mass764.29
IUPAC Name5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c4nc3-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C56H36N4/c1-4-15-37(16-5-1)39-27-31-41(32-28-39)54-55(42-33-29-40(30-34-42)38-17-6-2-7-18-38)58-56-48(57-54)23-14-26-51(56)60-50-25-13-11-22-45(50)47-35-46-44-21-10-12-24-49(44)59(52(46)36-53(47)60)43-19-8-3-9-20-43/h1-36H
InChIKeyUYZCUASOGZBEBR-UHFFFAOYSA-N
XLogP14.49
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-(2,3-diphenylquinoxalin-5-yl)-16-phenyl-12,16-diazahexacyclo[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 154952711
16-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 154952773
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
7-(2,3-diphenylquinoxalin-5-yl)-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole
CID 154952593
9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702563
10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 129122143
7-phenyl-5-quinoxalin-5-ylindolo[2,3-b]carbazole
CID 154952521
7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 164847545
11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene
CID 154952540
12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12,16-diazahexacyclo[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 134222275
4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 129122689

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole (CID 154952283) is 5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole is c1ccc(-c2ccc(-c3nc4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c4nc3-c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is UYZCUASOGZBEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-4-15-37(16-5-1)39-27-31-41(32-28-39)54-55(42-33-29-40(30-34-42)38-17-6-2-7-18-38)58-56-48(57-54)23-14-26-51(56)60-50-25-13-11-22-45(50)47-35-46-44-21-10-12-24-49(44)59(52(46)36-53(47)60)43-19-8-3-9-20-43/h1-36H.
What are the key properties of 5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole?
5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 764.93 g/mol, XLogP of 14.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 154952283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).