2-[2-(7,8,9,10-tetrahydrochrysen-1-yl)phenyl]-1,8-naphthyridine

C32H24N2 — CID 174760768

IUPAC2-[2-(7,8,9,10-tetrahydrochrysen-1-yl)phenyl]-1,8-naphthyridine
SMILESc1ccc(-c2cccc3c2ccc2c4c(ccc23)CCCC4)c(-c2ccc3cccnc3n2)c1
InChIInChI=1S/C32H24N2/c1-2-9-23-21(7-1)14-16-28-25-13-5-12-24(29(25)18-17-27(23)28)26-10-3-4-11-30(26)31-19-15-22-8-6-20-33-32(22)34-31/h3-6,8,10-20H,1-2,7,9H2
InChIKeyNGSDKBHMDVSDGC-UHFFFAOYSA-N
MW436.56 g/mol
LogP8.15
Rot. Bonds2

About 2-[2-(7,8,9,10-tetrahydrochrysen-1-yl)phenyl]-1,8-naphthyridine

2-[2-(7,8,9,10-tetrahydrochrysen-1-yl)phenyl]-1,8-naphthyridine (PubChem CID 174760768) has the molecular formula C32H24N2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[2-(7,8,9,10-tetrahydrochrysen-1-yl)phenyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-[2-(7,8,9,10-tetrahydrochrysen-1-yl)phenyl]-1,8-naphthyridine
PubChem CID174760768
Molecular FormulaC32H24N2
Molecular Weight436.56 g/mol
Exact Mass436.19
IUPAC Name2-[2-(7,8,9,10-tetrahydrochrysen-1-yl)phenyl]-1,8-naphthyridine
SMILESc1ccc(-c2cccc3c2ccc2c4c(ccc23)CCCC4)c(-c2ccc3cccnc3n2)c1
InChIInChI=1S/C32H24N2/c1-2-9-23-21(7-1)14-16-28-25-13-5-12-24(29(25)18-17-27(23)28)26-10-3-4-11-30(26)31-19-15-22-8-6-20-33-32(22)34-31/h3-6,8,10-20H,1-2,7,9H2
InChIKeyNGSDKBHMDVSDGC-UHFFFAOYSA-N
XLogP8.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 58.15
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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Related Compounds

quinoline;1,2,3,4-tetrahydrochrysene
CID 174331390
6-(dimethoxymethyl)-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine
CID 174880628
benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
methane;1,2,3,4-tetrahydrochrysene
CID 174298676
palladium;1,2,3,4-tetrahydrochrysene
CID 174462913
CID 174884926
CID 174884926
benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578
1,6-naphthyridine;1,2,3,4-tetrahydrochrysene
CID 174401124
3-(7,8,9,10-tetrahydrochrysen-1-yl)cinnoline;dihydrochloride
CID 174861297
2-benzofuran-1,3-dione;1,2,3,4-tetrahydrochrysene
CID 174265222
1H-imidazole;1,2,3,4-tetrahydrochrysene
CID 174450529
1,4-dimethylanthracene-9,10-dione;1,2,3,4-tetrahydrochrysene
CID 174595165

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7,8,9,10-tetrahydrochrysen-1-yl)phenyl]-1,8-naphthyridine?
The IUPAC name of 2-[2-(7,8,9,10-tetrahydrochrysen-1-yl)phenyl]-1,8-naphthyridine (CID 174760768) is 2-[2-(7,8,9,10-tetrahydrochrysen-1-yl)phenyl]-1,8-naphthyridine.
What is the SMILES notation for 2-[2-(7,8,9,10-tetrahydrochrysen-1-yl)phenyl]-1,8-naphthyridine?
The canonical SMILES for 2-[2-(7,8,9,10-tetrahydrochrysen-1-yl)phenyl]-1,8-naphthyridine is c1ccc(-c2cccc3c2ccc2c4c(ccc23)CCCC4)c(-c2ccc3cccnc3n2)c1.
What is the InChIKey of 2-[2-(7,8,9,10-tetrahydrochrysen-1-yl)phenyl]-1,8-naphthyridine?
The InChIKey is NGSDKBHMDVSDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2/c1-2-9-23-21(7-1)14-16-28-25-13-5-12-24(29(25)18-17-27(23)28)26-10-3-4-11-30(26)31-19-15-22-8-6-20-33-32(22)34-31/h3-6,8,10-20H,1-2,7,9H2.
What are the key properties of 2-[2-(7,8,9,10-tetrahydrochrysen-1-yl)phenyl]-1,8-naphthyridine?
2-[2-(7,8,9,10-tetrahydrochrysen-1-yl)phenyl]-1,8-naphthyridine has a molecular weight of 436.56 g/mol, XLogP of 8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7,8,9,10-tetrahydrochrysen-1-yl)phenyl]-1,8-naphthyridine is sourced from PubChem (CID 174760768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).