1,2,3,7,8,9,10-heptamethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine-1,9,10-triium

C18H26N3+3 — CID 123856563

IUPAC1,2,3,7,8,9,10-heptamethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine-1,9,10-triium
SMILESCc1cc2cc3c([n+](C)c2[n+](C)c1C)=[N+](C)C(C)C(C)C=3
InChIInChI=1S/C18H26N3/c1-11-8-15-10-16-9-12(2)14(4)20(6)18(16)21(7)17(15)19(5)13(11)3/h8-11,13H,1-7H3/q+3
InChIKeyVFAZPHDHTWZHHK-UHFFFAOYSA-N
MW284.43 g/mol
LogP0.05
Rot. Bonds

About 1,2,3,7,8,9,10-heptamethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine-1,9,10-triium

1,2,3,7,8,9,10-heptamethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine-1,9,10-triium (PubChem CID 123856563) has the molecular formula C18H26N3+3 and a molecular weight of 284.43 g/mol. Its IUPAC name is 1,2,3,7,8,9,10-heptamethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine-1,9,10-triium.

Molecular Properties

Compound Name1,2,3,7,8,9,10-heptamethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine-1,9,10-triium
PubChem CID123856563
Molecular FormulaC18H26N3+3
Molecular Weight284.43 g/mol
Exact Mass284.21
IUPAC Name1,2,3,7,8,9,10-heptamethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine-1,9,10-triium
SMILESCc1cc2cc3c([n+](C)c2[n+](C)c1C)=[N+](C)C(C)C(C)C=3
InChIInChI=1S/C18H26N3/c1-11-8-15-10-16-9-12(2)14(4)20(6)18(16)21(7)17(15)19(5)13(11)3/h8-11,13H,1-7H3/q+3
InChIKeyVFAZPHDHTWZHHK-UHFFFAOYSA-N
XLogP0.05
TPSA10.77 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,7,8,9,10-heptamethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine-1,9,10-triium?
The IUPAC name of 1,2,3,7,8,9,10-heptamethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine-1,9,10-triium (CID 123856563) is 1,2,3,7,8,9,10-heptamethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine-1,9,10-triium.
What is the SMILES notation for 1,2,3,7,8,9,10-heptamethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine-1,9,10-triium?
The canonical SMILES for 1,2,3,7,8,9,10-heptamethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine-1,9,10-triium is Cc1cc2cc3c([n+](C)c2[n+](C)c1C)=[N+](C)C(C)C(C)C=3.
What is the InChIKey of 1,2,3,7,8,9,10-heptamethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine-1,9,10-triium?
The InChIKey is VFAZPHDHTWZHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N3/c1-11-8-15-10-16-9-12(2)14(4)20(6)18(16)21(7)17(15)19(5)13(11)3/h8-11,13H,1-7H3/q+3.
What are the key properties of 1,2,3,7,8,9,10-heptamethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine-1,9,10-triium?
1,2,3,7,8,9,10-heptamethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine-1,9,10-triium has a molecular weight of 284.43 g/mol, XLogP of 0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,7,8,9,10-heptamethyl-7,8-dihydropyrido[2,3-b][1,8]naphthyridine-1,9,10-triium is sourced from PubChem (CID 123856563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).