6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol

C28H18N2O — CID 146549143

IUPAC6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol
SMILESOc1cccc2c(-c3ccc(-c4cccc5cccnc45)cc3)nc3ccccc3c12
InChIInChI=1S/C28H18N2O/c31-25-12-4-10-23-26(25)22-8-1-2-11-24(22)30-28(23)20-15-13-18(14-16-20)21-9-3-6-19-7-5-17-29-27(19)21/h1-17,31H
InChIKeyDCCGONQSLAEEBE-UHFFFAOYSA-N
MW398.47 g/mol
LogP6.98
Rot. Bonds2

About 6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol

6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol (PubChem CID 146549143) has the molecular formula C28H18N2O and a molecular weight of 398.47 g/mol. Its IUPAC name is 6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol.

Molecular Properties

Compound Name6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol
PubChem CID146549143
Molecular FormulaC28H18N2O
Molecular Weight398.47 g/mol
Exact Mass398.14
IUPAC Name6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol
SMILESOc1cccc2c(-c3ccc(-c4cccc5cccnc45)cc3)nc3ccccc3c12
InChIInChI=1S/C28H18N2O/c31-25-12-4-10-23-26(25)22-8-1-2-11-24(22)30-28(23)20-15-13-18(14-16-20)21-9-3-6-19-7-5-17-29-27(19)21/h1-17,31H
InChIKeyDCCGONQSLAEEBE-UHFFFAOYSA-N
XLogP6.98
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol?
The IUPAC name of 6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol (CID 146549143) is 6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol.
What is the SMILES notation for 6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol?
The canonical SMILES for 6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol is Oc1cccc2c(-c3ccc(-c4cccc5cccnc45)cc3)nc3ccccc3c12.
What is the InChIKey of 6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol?
The InChIKey is DCCGONQSLAEEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O/c31-25-12-4-10-23-26(25)22-8-1-2-11-24(22)30-28(23)20-15-13-18(14-16-20)21-9-3-6-19-7-5-17-29-27(19)21/h1-17,31H.
What are the key properties of 6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol?
6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol has a molecular weight of 398.47 g/mol, XLogP of 6.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol is sourced from PubChem (CID 146549143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).