1,6-naphthyridine;1,2,3,4-tetrahydrochrysene

C26H22N2 — CID 174401124

IUPAC1,6-naphthyridine;1,2,3,4-tetrahydrochrysene
SMILESc1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1cnc2ccncc2c1
InChIInChI=1S/C18H16.C8H6N2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-7-6-9-5-3-8(7)10-4-1/h1,3,5,7,9-12H,2,4,6,8H2;1-6H
InChIKeyUCFTXYTWMJCEFI-UHFFFAOYSA-N
MW362.48 g/mol
LogP6.50
Rot. Bonds

About 1,6-naphthyridine;1,2,3,4-tetrahydrochrysene

1,6-naphthyridine;1,2,3,4-tetrahydrochrysene (PubChem CID 174401124) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1,6-naphthyridine;1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Name1,6-naphthyridine;1,2,3,4-tetrahydrochrysene
PubChem CID174401124
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name1,6-naphthyridine;1,2,3,4-tetrahydrochrysene
SMILESc1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1cnc2ccncc2c1
InChIInChI=1S/C18H16.C8H6N2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-7-6-9-5-3-8(7)10-4-1/h1,3,5,7,9-12H,2,4,6,8H2;1-6H
InChIKeyUCFTXYTWMJCEFI-UHFFFAOYSA-N
XLogP6.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 56.50
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 1,6-naphthyridine;1,2,3,4-tetrahydrochrysene?
The IUPAC name of 1,6-naphthyridine;1,2,3,4-tetrahydrochrysene (CID 174401124) is 1,6-naphthyridine;1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for 1,6-naphthyridine;1,2,3,4-tetrahydrochrysene?
The canonical SMILES for 1,6-naphthyridine;1,2,3,4-tetrahydrochrysene is c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1cnc2ccncc2c1.
What is the InChIKey of 1,6-naphthyridine;1,2,3,4-tetrahydrochrysene?
The InChIKey is UCFTXYTWMJCEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C8H6N2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-7-6-9-5-3-8(7)10-4-1/h1,3,5,7,9-12H,2,4,6,8H2;1-6H.
What are the key properties of 1,6-naphthyridine;1,2,3,4-tetrahydrochrysene?
1,6-naphthyridine;1,2,3,4-tetrahydrochrysene has a molecular weight of 362.48 g/mol, XLogP of 6.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-naphthyridine;1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174401124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).