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

C42H27N3O — CID 136502675

IUPAC2-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
SMILESOc1cccc2ccc(-c3c4ccccc4cc4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc34)nc12
InChIInChI=1S/C42H27N3O/c46-39-16-8-10-28-23-24-37(43-41(28)39)40-34-13-5-4-9-31(34)25-32-22-21-30(26-35(32)40)27-17-19-29(20-18-27)42-44-36-14-6-7-15-38(36)45(42)33-11-2-1-3-12-33/h1-26,46H
InChIKeyKXNQGYRGILAWSO-UHFFFAOYSA-N
MW589.70 g/mol
LogP10.59
Rot. Bonds4

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

2-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol (PubChem CID 136502675) has the molecular formula C42H27N3O and a molecular weight of 589.70 g/mol. Its IUPAC name is 2-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol.

Molecular Properties

Compound Name2-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
PubChem CID136502675
Molecular FormulaC42H27N3O
Molecular Weight589.70 g/mol
Exact Mass589.22
IUPAC Name2-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
SMILESOc1cccc2ccc(-c3c4ccccc4cc4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc34)nc12
InChIInChI=1S/C42H27N3O/c46-39-16-8-10-28-23-24-37(43-41(28)39)40-34-13-5-4-9-31(34)25-32-22-21-30(26-35(32)40)27-17-19-29(20-18-27)42-44-36-14-6-7-15-38(36)45(42)33-11-2-1-3-12-33/h1-26,46H
InChIKeyKXNQGYRGILAWSO-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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Related Compounds

2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 136502691
2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 167136922
2-[9-naphthalen-2-yl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]benzene-1,3-diol
CID 90380743
2-[4-(10-phenylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline
CID 122578272
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
2-[4-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)phenyl]-1-phenylbenzimidazole
CID 167410699
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
7-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]benzo[b][1,10]phenanthroline
CID 157434289
2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827456
2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 136502638

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
The IUPAC name of 2-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol (CID 136502675) is 2-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol.
What is the SMILES notation for 2-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
The canonical SMILES for 2-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol is Oc1cccc2ccc(-c3c4ccccc4cc4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc34)nc12.
What is the InChIKey of 2-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
The InChIKey is KXNQGYRGILAWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O/c46-39-16-8-10-28-23-24-37(43-41(28)39)40-34-13-5-4-9-31(34)25-32-22-21-30(26-35(32)40)27-17-19-29(20-18-27)42-44-36-14-6-7-15-38(36)45(42)33-11-2-1-3-12-33/h1-26,46H.
What are the key properties of 2-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?
2-[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 2-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol is sourced from PubChem (CID 136502675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).