5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline

C59H39N5 — CID 138705115

IUPAC5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline
SMILESc1ccc(-c2cccc(-n3c(-c4ccc(-c5ccc(-c6ccc(-c7nc8ccccc8n7-c7cccc(-c8ccccc8)c7)cc6)c6ncccc56)cc4)nc4ccccc43)c2)cc1
InChIInChI=1S/C59H39N5/c1-3-14-40(15-4-1)46-18-11-20-48(38-46)63-55-25-9-7-23-53(55)61-58(63)44-31-27-42(28-32-44)50-35-36-51(57-52(50)22-13-37-60-57)43-29-33-45(34-30-43)59-62-54-24-8-10-26-56(54)64(59)49-21-12-19-47(39-49)41-16-5-2-6-17-41/h1-39H
InChIKeyVUQAUJAFKOOQNF-UHFFFAOYSA-N
MW818.00 g/mol
LogP14.91
Rot. Bonds8

About 5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline

5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline (PubChem CID 138705115) has the molecular formula C59H39N5 and a molecular weight of 818.00 g/mol. Its IUPAC name is 5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline
PubChem CID138705115
Molecular FormulaC59H39N5
Molecular Weight818.00 g/mol
Exact Mass817.32
IUPAC Name5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline
SMILESc1ccc(-c2cccc(-n3c(-c4ccc(-c5ccc(-c6ccc(-c7nc8ccccc8n7-c7cccc(-c8ccccc8)c7)cc6)c6ncccc56)cc4)nc4ccccc43)c2)cc1
InChIInChI=1S/C59H39N5/c1-3-14-40(15-4-1)46-18-11-20-48(38-46)63-55-25-9-7-23-53(55)61-58(63)44-31-27-42(28-32-44)50-35-36-51(57-52(50)22-13-37-60-57)43-29-33-45(34-30-43)59-62-54-24-8-10-26-56(54)64(59)49-21-12-19-47(39-49)41-16-5-2-6-17-41/h1-39H
InChIKeyVUQAUJAFKOOQNF-UHFFFAOYSA-N
XLogP14.91
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.00
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 155792535
5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline
CID 138705133
5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline
CID 138705119
5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline
CID 138705106
6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 146976715
2-[4-[2,3-dimethyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-methyl-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;7-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[f][1,10]phenanthroline;1-phenyl-2-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole
CID 158588840
5,8-bis(4-chlorophenyl)quinoline;5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoline;2-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 162014613
2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole
CID 175392622
7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 136502638
1-[3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-2-phenylbenzimidazole
CID 166509863
1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
CID 59010634
1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole
CID 67991412

Frequently Asked Questions

What is the IUPAC name of 5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline?
The IUPAC name of 5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline (CID 138705115) is 5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline.
What is the SMILES notation for 5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline?
The canonical SMILES for 5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline is c1ccc(-c2cccc(-n3c(-c4ccc(-c5ccc(-c6ccc(-c7nc8ccccc8n7-c7cccc(-c8ccccc8)c7)cc6)c6ncccc56)cc4)nc4ccccc43)c2)cc1.
What is the InChIKey of 5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline?
The InChIKey is VUQAUJAFKOOQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N5/c1-3-14-40(15-4-1)46-18-11-20-48(38-46)63-55-25-9-7-23-53(55)61-58(63)44-31-27-42(28-32-44)50-35-36-51(57-52(50)22-13-37-60-57)43-29-33-45(34-30-43)59-62-54-24-8-10-26-56(54)64(59)49-21-12-19-47(39-49)41-16-5-2-6-17-41/h1-39H.
What are the key properties of 5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline?
5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline has a molecular weight of 818.00 g/mol, XLogP of 14.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline is sourced from PubChem (CID 138705115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).