1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene

C39H32N2O — CID 174912201

IUPAC1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene
SMILESC1=CC2=C(CC1)CCc1c2ccc2cc(-c3ccc(OCc4ccccc4)cc3)ccc12.c1cnc2ccncc2c1
InChIInChI=1S/C31H26O.C8H6N2/c1-2-6-22(7-3-1)21-32-27-15-10-23(11-16-27)25-13-17-29-26(20-25)14-19-30-28-9-5-4-8-24(28)12-18-31(29)30;1-2-7-6-9-5-3-8(7)10-4-1/h1-3,5-7,9-11,13-17,19-20H,4,8,12,18,21H2;1-6H
InChIKeyYCHGZNNGZVNVJD-UHFFFAOYSA-N
MW544.70 g/mol
LogP9.77
Rot. Bonds4

About 1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene

1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene (PubChem CID 174912201) has the molecular formula C39H32N2O and a molecular weight of 544.70 g/mol. Its IUPAC name is 1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene.

Molecular Properties

Compound Name1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene
PubChem CID174912201
Molecular FormulaC39H32N2O
Molecular Weight544.70 g/mol
Exact Mass544.25
IUPAC Name1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene
SMILESC1=CC2=C(CC1)CCc1c2ccc2cc(-c3ccc(OCc4ccccc4)cc3)ccc12.c1cnc2ccncc2c1
InChIInChI=1S/C31H26O.C8H6N2/c1-2-6-22(7-3-1)21-32-27-15-10-23(11-16-27)25-13-17-29-26(20-25)14-19-30-28-9-5-4-8-24(28)12-18-31(29)30;1-2-7-6-9-5-3-8(7)10-4-1/h1-3,5-7,9-11,13-17,19-20H,4,8,12,18,21H2;1-6H
InChIKeyYCHGZNNGZVNVJD-UHFFFAOYSA-N
XLogP9.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene?
The IUPAC name of 1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene (CID 174912201) is 1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene.
What is the SMILES notation for 1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene?
The canonical SMILES for 1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene is C1=CC2=C(CC1)CCc1c2ccc2cc(-c3ccc(OCc4ccccc4)cc3)ccc12.c1cnc2ccncc2c1.
What is the InChIKey of 1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene?
The InChIKey is YCHGZNNGZVNVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26O.C8H6N2/c1-2-6-22(7-3-1)21-32-27-15-10-23(11-16-27)25-13-17-29-26(20-25)14-19-30-28-9-5-4-8-24(28)12-18-31(29)30;1-2-7-6-9-5-3-8(7)10-4-1/h1-3,5-7,9-11,13-17,19-20H,4,8,12,18,21H2;1-6H.
What are the key properties of 1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene?
1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene has a molecular weight of 544.70 g/mol, XLogP of 9.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene is sourced from PubChem (CID 174912201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).