6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium perchlorate

C24H18ClNO4 — CID 2834903

IUPAC6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium perchlorate
SMILESCc1cc(-c2ccccc2)cc2c3ccccc3c3ccccc3[n+]12.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H18N.ClHO4/c1-17-15-19(18-9-3-2-4-10-18)16-24-22-13-6-5-11-20(22)21-12-7-8-14-23(21)25(17)24;2-1(3,4)5/h2-16H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyKAOADJHPDGWMPN-UHFFFAOYSA-M
MW419.86 g/mol
LogP0.95
Rot. Bonds1

About 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium perchlorate

6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium perchlorate (PubChem CID 2834903) has the molecular formula C24H18ClNO4 and a molecular weight of 419.86 g/mol. Its IUPAC name is 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium perchlorate.

Molecular Properties

Compound Name6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium perchlorate
PubChem CID2834903
Molecular FormulaC24H18ClNO4
Molecular Weight419.86 g/mol
Exact Mass419.09
IUPAC Name6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium perchlorate
SMILESCc1cc(-c2ccccc2)cc2c3ccccc3c3ccccc3[n+]12.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H18N.ClHO4/c1-17-15-19(18-9-3-2-4-10-18)16-24-22-13-6-5-11-20(22)21-12-7-8-14-23(21)25(17)24;2-1(3,4)5/h2-16H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyKAOADJHPDGWMPN-UHFFFAOYSA-M
XLogP0.95
TPSA96.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.86
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 9215
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Benz(a)acridine
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CID 11913
7-Methylbenz(c)acridine
CID 76861
Pinacyanol chloride
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium perchlorate?
The IUPAC name of 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium perchlorate (CID 2834903) is 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium perchlorate.
What is the SMILES notation for 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium perchlorate?
The canonical SMILES for 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium perchlorate is Cc1cc(-c2ccccc2)cc2c3ccccc3c3ccccc3[n+]12.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium perchlorate?
The InChIKey is KAOADJHPDGWMPN-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H18N.ClHO4/c1-17-15-19(18-9-3-2-4-10-18)16-24-22-13-6-5-11-20(22)21-12-7-8-14-23(21)25(17)24;2-1(3,4)5/h2-16H,1H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium perchlorate?
6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium perchlorate has a molecular weight of 419.86 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-phenylpyrido[1,2-f]phenanthridin-5-ium perchlorate is sourced from PubChem (CID 2834903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).