1-phenyl-4-(1-phenylquinolin-1-ium-4-yl)quinolin-1-ium

C30H22N2+2 — CID 137387679

IUPAC1-phenyl-4-(1-phenylquinolin-1-ium-4-yl)quinolin-1-ium
SMILESc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccccc4)c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C30H22N2/c1-3-11-23(12-4-1)31-21-19-25(27-15-7-9-17-29(27)31)26-20-22-32(24-13-5-2-6-14-24)30-18-10-8-16-28(26)30/h1-22H/q+2
InChIKeyOAMZUPOSNKDSKV-UHFFFAOYSA-N
MW410.52 g/mol
LogP6.21
Rot. Bonds3

About 1-phenyl-4-(1-phenylquinolin-1-ium-4-yl)quinolin-1-ium

1-phenyl-4-(1-phenylquinolin-1-ium-4-yl)quinolin-1-ium (PubChem CID 137387679) has the molecular formula C30H22N2+2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-phenyl-4-(1-phenylquinolin-1-ium-4-yl)quinolin-1-ium.

Molecular Properties

Compound Name1-phenyl-4-(1-phenylquinolin-1-ium-4-yl)quinolin-1-ium
PubChem CID137387679
Molecular FormulaC30H22N2+2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC Name1-phenyl-4-(1-phenylquinolin-1-ium-4-yl)quinolin-1-ium
SMILESc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccccc4)c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C30H22N2/c1-3-11-23(12-4-1)31-21-19-25(27-15-7-9-17-29(27)31)26-20-22-32(24-13-5-2-6-14-24)30-18-10-8-16-28(26)30/h1-22H/q+2
InChIKeyOAMZUPOSNKDSKV-UHFFFAOYSA-N
XLogP6.21
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(1-phenylquinolin-1-ium-4-yl)quinolin-1-ium?
The IUPAC name of 1-phenyl-4-(1-phenylquinolin-1-ium-4-yl)quinolin-1-ium (CID 137387679) is 1-phenyl-4-(1-phenylquinolin-1-ium-4-yl)quinolin-1-ium.
What is the SMILES notation for 1-phenyl-4-(1-phenylquinolin-1-ium-4-yl)quinolin-1-ium?
The canonical SMILES for 1-phenyl-4-(1-phenylquinolin-1-ium-4-yl)quinolin-1-ium is c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccccc4)c4ccccc34)c3ccccc32)cc1.
What is the InChIKey of 1-phenyl-4-(1-phenylquinolin-1-ium-4-yl)quinolin-1-ium?
The InChIKey is OAMZUPOSNKDSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c1-3-11-23(12-4-1)31-21-19-25(27-15-7-9-17-29(27)31)26-20-22-32(24-13-5-2-6-14-24)30-18-10-8-16-28(26)30/h1-22H/q+2.
What are the key properties of 1-phenyl-4-(1-phenylquinolin-1-ium-4-yl)quinolin-1-ium?
1-phenyl-4-(1-phenylquinolin-1-ium-4-yl)quinolin-1-ium has a molecular weight of 410.52 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(1-phenylquinolin-1-ium-4-yl)quinolin-1-ium is sourced from PubChem (CID 137387679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).