11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine

C32H20N2 — CID 59575326

IUPAC11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine
SMILESc1cc(-c2ccc3c4ccccc4c4ccncc4c3c2)cc(-c2ccc3ccccc3n2)c1
InChIInChI=1S/C32H20N2/c1-4-11-31-21(6-1)13-15-32(34-31)24-8-5-7-22(18-24)23-12-14-27-25-9-2-3-10-26(25)28-16-17-33-20-30(28)29(27)19-23/h1-20H
InChIKeyMPOAGFCTENYLTG-UHFFFAOYSA-N
MW432.53 g/mol
LogP8.42
Rot. Bonds2

About 11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine

11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine (PubChem CID 59575326) has the molecular formula C32H20N2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine.

Molecular Properties

Compound Name11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine
PubChem CID59575326
Molecular FormulaC32H20N2
Molecular Weight432.53 g/mol
Exact Mass432.16
IUPAC Name11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine
SMILESc1cc(-c2ccc3c4ccccc4c4ccncc4c3c2)cc(-c2ccc3ccccc3n2)c1
InChIInChI=1S/C32H20N2/c1-4-11-31-21(6-1)13-15-32(34-31)24-8-5-7-22(18-24)23-12-14-27-25-9-2-3-10-26(25)28-16-17-33-20-30(28)29(27)19-23/h1-20H
InChIKeyMPOAGFCTENYLTG-UHFFFAOYSA-N
XLogP8.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine?
The IUPAC name of 11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine (CID 59575326) is 11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine.
What is the SMILES notation for 11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine?
The canonical SMILES for 11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine is c1cc(-c2ccc3c4ccccc4c4ccncc4c3c2)cc(-c2ccc3ccccc3n2)c1.
What is the InChIKey of 11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine?
The InChIKey is MPOAGFCTENYLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2/c1-4-11-31-21(6-1)13-15-32(34-31)24-8-5-7-22(18-24)23-12-14-27-25-9-2-3-10-26(25)28-16-17-33-20-30(28)29(27)19-23/h1-20H.
What are the key properties of 11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine?
11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine has a molecular weight of 432.53 g/mol, XLogP of 8.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine is sourced from PubChem (CID 59575326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).