5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline

C46H30N6 — CID 138705119

IUPAC5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline
SMILESc1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5nccnc45)cc3)nc3ccccc32)cc1
InChIInChI=1S/C46H30N6/c1-3-11-35(12-4-1)51-41-17-9-7-15-39(41)49-45(51)33-23-19-31(20-24-33)37-27-28-38(44-43(37)47-29-30-48-44)32-21-25-34(26-22-32)46-50-40-16-8-10-18-42(40)52(46)36-13-5-2-6-14-36/h1-30H
InChIKeyICIPBPVVUXVSJS-UHFFFAOYSA-N
MW666.79 g/mol
LogP10.98
Rot. Bonds6

About 5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline

5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline (PubChem CID 138705119) has the molecular formula C46H30N6 and a molecular weight of 666.79 g/mol. Its IUPAC name is 5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline.

Molecular Properties

Compound Name5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline
PubChem CID138705119
Molecular FormulaC46H30N6
Molecular Weight666.79 g/mol
Exact Mass666.25
IUPAC Name5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline
SMILESc1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5nccnc45)cc3)nc3ccccc32)cc1
InChIInChI=1S/C46H30N6/c1-3-11-35(12-4-1)51-41-17-9-7-15-39(41)49-45(51)33-23-19-31(20-24-33)37-27-28-38(44-43(37)47-29-30-48-44)32-21-25-34(26-22-32)46-50-40-16-8-10-18-42(40)52(46)36-13-5-2-6-14-36/h1-30H
InChIKeyICIPBPVVUXVSJS-UHFFFAOYSA-N
XLogP10.98
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.79
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline
CID 138705106
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline
CID 138705115
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
3,11-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,10,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaene
CID 123507806
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole
CID 135245229
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole
CID 58947640
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole
CID 141099436
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931

Frequently Asked Questions

What is the IUPAC name of 5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline?
The IUPAC name of 5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline (CID 138705119) is 5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline.
What is the SMILES notation for 5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline?
The canonical SMILES for 5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline is c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5nccnc45)cc3)nc3ccccc32)cc1.
What is the InChIKey of 5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline?
The InChIKey is ICIPBPVVUXVSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N6/c1-3-11-35(12-4-1)51-41-17-9-7-15-39(41)49-45(51)33-23-19-31(20-24-33)37-27-28-38(44-43(37)47-29-30-48-44)32-21-25-34(26-22-32)46-50-40-16-8-10-18-42(40)52(46)36-13-5-2-6-14-36/h1-30H.
What are the key properties of 5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline?
5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline has a molecular weight of 666.79 g/mol, XLogP of 10.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline is sourced from PubChem (CID 138705119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).