coronene;1,8-naphthyridine

C32H18N2 — CID 87840875

IUPACcoronene;1,8-naphthyridine
SMILESc1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61.c1cnc2ncccc2c1
InChIInChI=1S/C24H12.C8H6N2/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19;1-3-7-4-2-6-10-8(7)9-5-1/h1-12H;1-6H
InChIKeyFZVLWZPIRYPPCZ-UHFFFAOYSA-N
MW430.51 g/mol
LogP8.55
Rot. Bonds

About coronene;1,8-naphthyridine

coronene;1,8-naphthyridine (PubChem CID 87840875) has the molecular formula C32H18N2 and a molecular weight of 430.51 g/mol. Its IUPAC name is coronene;1,8-naphthyridine.

Molecular Properties

Compound Namecoronene;1,8-naphthyridine
PubChem CID87840875
Molecular FormulaC32H18N2
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC Namecoronene;1,8-naphthyridine
SMILESc1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61.c1cnc2ncccc2c1
InChIInChI=1S/C24H12.C8H6N2/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19;1-3-7-4-2-6-10-8(7)9-5-1/h1-12H;1-6H
InChIKeyFZVLWZPIRYPPCZ-UHFFFAOYSA-N
XLogP8.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of coronene;1,8-naphthyridine?
The IUPAC name of coronene;1,8-naphthyridine (CID 87840875) is coronene;1,8-naphthyridine.
What is the SMILES notation for coronene;1,8-naphthyridine?
The canonical SMILES for coronene;1,8-naphthyridine is c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61.c1cnc2ncccc2c1.
What is the InChIKey of coronene;1,8-naphthyridine?
The InChIKey is FZVLWZPIRYPPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12.C8H6N2/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19;1-3-7-4-2-6-10-8(7)9-5-1/h1-12H;1-6H.
What are the key properties of coronene;1,8-naphthyridine?
coronene;1,8-naphthyridine has a molecular weight of 430.51 g/mol, XLogP of 8.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for coronene;1,8-naphthyridine is sourced from PubChem (CID 87840875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).