7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol

C32H21N3O — CID 136502697

IUPAC7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol
SMILESOc1c(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)c3ccccc23)ccc2cccnc12
InChIInChI=1S/C32H21N3O/c36-31-26(17-16-21-9-8-20-33-30(21)31)25-18-19-27(24-13-5-4-12-23(24)25)32-34-28-14-6-7-15-29(28)35(32)22-10-2-1-3-11-22/h1-20,36H
InChIKeyQUCCITFKLFULPD-UHFFFAOYSA-N
MW463.54 g/mol
LogP7.77
Rot. Bonds3

About 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol

7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol (PubChem CID 136502697) has the molecular formula C32H21N3O and a molecular weight of 463.54 g/mol. Its IUPAC name is 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol.

Molecular Properties

Compound Name7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol
PubChem CID136502697
Molecular FormulaC32H21N3O
Molecular Weight463.54 g/mol
Exact Mass463.17
IUPAC Name7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol
SMILESOc1c(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)c3ccccc23)ccc2cccnc12
InChIInChI=1S/C32H21N3O/c36-31-26(17-16-21-9-8-20-33-30(21)31)25-18-19-27(24-13-5-4-12-23(24)25)32-34-28-14-6-7-15-29(28)35(32)22-10-2-1-3-11-22/h1-20,36H
InChIKeyQUCCITFKLFULPD-UHFFFAOYSA-N
XLogP7.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol?
The IUPAC name of 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol (CID 136502697) is 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol.
What is the SMILES notation for 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol?
The canonical SMILES for 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol is Oc1c(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)c3ccccc23)ccc2cccnc12.
What is the InChIKey of 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol?
The InChIKey is QUCCITFKLFULPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3O/c36-31-26(17-16-21-9-8-20-33-30(21)31)25-18-19-27(24-13-5-4-12-23(24)25)32-34-28-14-6-7-15-29(28)35(32)22-10-2-1-3-11-22/h1-20,36H.
What are the key properties of 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol?
7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol has a molecular weight of 463.54 g/mol, XLogP of 7.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol is sourced from PubChem (CID 136502697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).