5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol

C42H27N3O — CID 136502637

IUPAC5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
SMILESOc1ccc(-c2c3ccccc3cc3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)c2cccnc12
InChIInChI=1S/C42H27N3O/c46-39-23-22-34(35-13-8-24-43-41(35)39)40-33-12-5-4-9-30(33)25-31-21-20-29(26-36(31)40)27-16-18-28(19-17-27)42-44-37-14-6-7-15-38(37)45(42)32-10-2-1-3-11-32/h1-26,46H
InChIKeySVDRHOQQUCJXMY-UHFFFAOYSA-N
MW589.70 g/mol
LogP10.59
Rot. Bonds4

About 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol

5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol (PubChem CID 136502637) has the molecular formula C42H27N3O and a molecular weight of 589.70 g/mol. Its IUPAC name is 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol.

Molecular Properties

Compound Name5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
PubChem CID136502637
Molecular FormulaC42H27N3O
Molecular Weight589.70 g/mol
Exact Mass589.22
IUPAC Name5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
SMILESOc1ccc(-c2c3ccccc3cc3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)c2cccnc12
InChIInChI=1S/C42H27N3O/c46-39-23-22-34(35-13-8-24-43-41(35)39)40-33-12-5-4-9-30(33)25-31-21-20-29(26-36(31)40)27-16-18-28(19-17-27)42-44-37-14-6-7-15-38(37)45(42)32-10-2-1-3-11-32/h1-26,46H
InChIKeySVDRHOQQUCJXMY-UHFFFAOYSA-N
XLogP10.59
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 510.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
The IUPAC name of 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol (CID 136502637) is 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol.
What is the SMILES notation for 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
The canonical SMILES for 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol is Oc1ccc(-c2c3ccccc3cc3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)c2cccnc12.
What is the InChIKey of 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
The InChIKey is SVDRHOQQUCJXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O/c46-39-23-22-34(35-13-8-24-43-41(35)39)40-33-12-5-4-9-30(33)25-31-21-20-29(26-36(31)40)27-16-18-28(19-17-27)42-44-37-14-6-7-15-38(37)45(42)32-10-2-1-3-11-32/h1-26,46H.
What are the key properties of 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol has a molecular weight of 589.70 g/mol, XLogP of 10.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol is sourced from PubChem (CID 136502637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).