2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

C31H19N3O — CID 163512941

IUPAC2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4oc5cc6ccccc6cc5c4c3)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H]
InChIInChI=1S/C31H19N3O/c1-3-9-20(10-4-1)29-32-30(21-11-5-2-6-12-21)34-31(33-29)24-15-16-27-25(18-24)26-17-22-13-7-8-14-23(22)19-28(26)35-27/h1-19H/i1D,2D,3D,4D,5D,6D,9D,10D,11D,12D
InChIKeySIJJBVPCUFPIKF-CRDOFXDFSA-N
MW459.57 g/mol
LogP7.93
Rot. Bonds3

About 2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (PubChem CID 163512941) has the molecular formula C31H19N3O and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
PubChem CID163512941
Molecular FormulaC31H19N3O
Molecular Weight459.57 g/mol
Exact Mass459.22
IUPAC Name2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4oc5cc6ccccc6cc5c4c3)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H]
InChIInChI=1S/C31H19N3O/c1-3-9-20(10-4-1)29-32-30(21-11-5-2-6-12-21)34-31(33-29)24-15-16-27-25(18-24)26-17-22-13-7-8-14-23(22)19-28(26)35-27/h1-19H/i1D,2D,3D,4D,5D,6D,9D,10D,11D,12D
InChIKeySIJJBVPCUFPIKF-CRDOFXDFSA-N
XLogP7.93
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine with MolForge

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

Launch Full Analysis

Related Compounds

2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 163634293
2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 170521710
2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 153288146
2-naphtho[2,3-b][1]benzofuran-3-yl-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 163487301
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 163528916
2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 168769734
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine
CID 158181891
2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163505660
2-[10-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170661777
2-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 168769693
2-[10-[2,3,4,5-tetradeuterio-6-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170663237
2-[10-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170663689

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The IUPAC name of 2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (CID 163512941) is 2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The canonical SMILES for 2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4oc5cc6ccccc6cc5c4c3)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].
What is the InChIKey of 2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The InChIKey is SIJJBVPCUFPIKF-CRDOFXDFSA-N. The full InChI is InChI=1S/C31H19N3O/c1-3-9-20(10-4-1)29-32-30(21-11-5-2-6-12-21)34-31(33-29)24-15-16-27-25(18-24)26-17-22-13-7-8-14-23(22)19-28(26)35-27/h1-19H/i1D,2D,3D,4D,5D,6D,9D,10D,11D,12D.
What are the key properties of 2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine has a molecular weight of 459.57 g/mol, XLogP of 7.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is sourced from PubChem (CID 163512941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).