7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline

C42H27N5 — CID 164779348

IUPAC7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline
SMILESc1ccc(-n2c(-c3cccc(-c4ccc5ccc(-c6ccc7ccc(-c8ccccn8)nc7c6)nc5c4)c3)nc3ccccc32)cc1
InChIInChI=1S/C42H27N5/c1-2-11-34(12-3-1)47-41-15-5-4-14-38(41)46-42(47)33-10-8-9-30(25-33)31-18-16-28-20-22-35(44-39(28)26-31)32-19-17-29-21-23-37(45-40(29)27-32)36-13-6-7-24-43-36/h1-27H
InChIKeyRMYIZLUQQAGEPY-UHFFFAOYSA-N
MW601.71 g/mol
LogP10.18
Rot. Bonds5

About 7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline

7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline (PubChem CID 164779348) has the molecular formula C42H27N5 and a molecular weight of 601.71 g/mol. Its IUPAC name is 7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline.

Molecular Properties

Compound Name7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline
PubChem CID164779348
Molecular FormulaC42H27N5
Molecular Weight601.71 g/mol
Exact Mass601.23
IUPAC Name7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline
SMILESc1ccc(-n2c(-c3cccc(-c4ccc5ccc(-c6ccc7ccc(-c8ccccn8)nc7c6)nc5c4)c3)nc3ccccc32)cc1
InChIInChI=1S/C42H27N5/c1-2-11-34(12-3-1)47-41-15-5-4-14-38(41)46-42(47)33-10-8-9-30(25-33)31-18-16-28-20-22-35(44-39(28)26-31)32-19-17-29-21-23-37(45-40(29)27-32)36-13-6-7-24-43-36/h1-27H
InChIKeyRMYIZLUQQAGEPY-UHFFFAOYSA-N
XLogP10.18
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline;9-[3-[2-phenyl-6-[4-[2-(2-pyridin-2-ylquinolin-7-yl)quinolin-7-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 165109992
2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole
CID 153448985
9-[4-[4-phenyl-6-[4-[6-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164780736
9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 58500911
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-[3-[3-phenyl-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine;5-[2-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-2-ylpyridine
CID 161305445
2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole
CID 161378320
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline
CID 165105300
6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 155792535
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole
CID 90075826
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-[3-[3-phenyl-10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;5-[2-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-2-ylpyridine
CID 158885714

Frequently Asked Questions

What is the IUPAC name of 7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline?
The IUPAC name of 7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline (CID 164779348) is 7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline.
What is the SMILES notation for 7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline?
The canonical SMILES for 7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline is c1ccc(-n2c(-c3cccc(-c4ccc5ccc(-c6ccc7ccc(-c8ccccn8)nc7c6)nc5c4)c3)nc3ccccc32)cc1.
What is the InChIKey of 7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline?
The InChIKey is RMYIZLUQQAGEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N5/c1-2-11-34(12-3-1)47-41-15-5-4-14-38(41)46-42(47)33-10-8-9-30(25-33)31-18-16-28-20-22-35(44-39(28)26-31)32-19-17-29-21-23-37(45-40(29)27-32)36-13-6-7-24-43-36/h1-27H.
What are the key properties of 7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline?
7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline has a molecular weight of 601.71 g/mol, XLogP of 10.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline is sourced from PubChem (CID 164779348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).