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

C46H30N6 — CID 138705106

IUPAC5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c4nccnc34)cc2)cc1
InChIInChI=1S/C46H30N6/c1-3-11-33(12-4-1)45-49-39-15-7-9-17-41(39)51(45)35-23-19-31(20-24-35)37-27-28-38(44-43(37)47-29-30-48-44)32-21-25-36(26-22-32)52-42-18-10-8-16-40(42)50-46(52)34-13-5-2-6-14-34/h1-30H
InChIKeyLSZIAAXRTUQTFV-UHFFFAOYSA-N
MW666.79 g/mol
LogP10.98
Rot. Bonds6

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

5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline (PubChem CID 138705106) has the molecular formula C46H30N6 and a molecular weight of 666.79 g/mol. Its IUPAC name is 5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline.

Molecular Properties

Compound Name5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline
PubChem CID138705106
Molecular FormulaC46H30N6
Molecular Weight666.79 g/mol
Exact Mass666.25
IUPAC Name5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c4nccnc34)cc2)cc1
InChIInChI=1S/C46H30N6/c1-3-11-33(12-4-1)45-49-39-15-7-9-17-41(39)51(45)35-23-19-31(20-24-35)37-27-28-38(44-43(37)47-29-30-48-44)32-21-25-36(26-22-32)52-42-18-10-8-16-40(42)50-46(52)34-13-5-2-6-14-34/h1-30H
InChIKeyLSZIAAXRTUQTFV-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-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline
CID 138705119
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline
CID 138705115
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline
CID 70958763
[4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane
CID 174737756
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline
CID 138705133

Frequently Asked Questions

What is the IUPAC name of 5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline?
The IUPAC name of 5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline (CID 138705106) is 5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline.
What is the SMILES notation for 5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline?
The canonical SMILES for 5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline is c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c4nccnc34)cc2)cc1.
What is the InChIKey of 5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline?
The InChIKey is LSZIAAXRTUQTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N6/c1-3-11-33(12-4-1)45-49-39-15-7-9-17-41(39)51(45)35-23-19-31(20-24-35)37-27-28-38(44-43(37)47-29-30-48-44)32-21-25-36(26-22-32)52-42-18-10-8-16-40(42)50-46(52)34-13-5-2-6-14-34/h1-30H.
What are the key properties of 5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline?
5,8-bis[4-(2-phenylbenzimidazol-1-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-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline is sourced from PubChem (CID 138705106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).