5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline

C55H35N5 — CID 138705133

IUPAC5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline
SMILESc1ccc2c(-c3nc4ccccc4n3-c3ccc(-c4ccc(-c5ccc(-n6c(-c7cccc8ccccc78)nc7ccccc76)cc5)c5ncccc45)cc3)cccc2c1
InChIInChI=1S/C55H35N5/c1-3-16-42-36(12-1)14-9-18-47(42)54-57-49-21-5-7-23-51(49)59(54)40-29-25-38(26-30-40)44-33-34-45(53-46(44)20-11-35-56-53)39-27-31-41(32-28-39)60-52-24-8-6-22-50(52)58-55(60)48-19-10-15-37-13-2-4-17-43(37)48/h1-35H
InChIKeyPYGIUFLJWQXXDY-UHFFFAOYSA-N
MW765.92 g/mol
LogP13.89
Rot. Bonds6

About 5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline

5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline (PubChem CID 138705133) has the molecular formula C55H35N5 and a molecular weight of 765.92 g/mol. Its IUPAC name is 5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline.

Molecular Properties

Compound Name5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline
PubChem CID138705133
Molecular FormulaC55H35N5
Molecular Weight765.92 g/mol
Exact Mass765.29
IUPAC Name5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline
SMILESc1ccc2c(-c3nc4ccccc4n3-c3ccc(-c4ccc(-c5ccc(-n6c(-c7cccc8ccccc78)nc7ccccc76)cc5)c5ncccc45)cc3)cccc2c1
InChIInChI=1S/C55H35N5/c1-3-16-42-36(12-1)14-9-18-47(42)54-57-49-21-5-7-23-51(49)59(54)40-29-25-38(26-30-40)44-33-34-45(53-46(44)20-11-35-56-53)39-27-31-41(32-28-39)60-52-24-8-6-22-50(52)58-55(60)48-19-10-15-37-13-2-4-17-43(37)48/h1-35H
InChIKeyPYGIUFLJWQXXDY-UHFFFAOYSA-N
XLogP13.89
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole
CID 58106321
5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline
CID 138705115
8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786
5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol
CID 136502698
6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665500
5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline
CID 138705106
5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline
CID 138705119
7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol
CID 136502697
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
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole
CID 59010615
6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 155792535
9-[4-(1-quinolin-8-ylbenzimidazol-2-yl)phenyl]carbazole
CID 21356976

Frequently Asked Questions

What is the IUPAC name of 5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline?
The IUPAC name of 5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline (CID 138705133) is 5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline.
What is the SMILES notation for 5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline?
The canonical SMILES for 5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline is c1ccc2c(-c3nc4ccccc4n3-c3ccc(-c4ccc(-c5ccc(-n6c(-c7cccc8ccccc78)nc7ccccc76)cc5)c5ncccc45)cc3)cccc2c1.
What is the InChIKey of 5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline?
The InChIKey is PYGIUFLJWQXXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5/c1-3-16-42-36(12-1)14-9-18-47(42)54-57-49-21-5-7-23-51(49)59(54)40-29-25-38(26-30-40)44-33-34-45(53-46(44)20-11-35-56-53)39-27-31-41(32-28-39)60-52-24-8-6-22-50(52)58-55(60)48-19-10-15-37-13-2-4-17-43(37)48/h1-35H.
What are the key properties of 5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline?
5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline has a molecular weight of 765.92 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline is sourced from PubChem (CID 138705133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).