2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine

C43H25N3OS — CID 163886647

IUPAC2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5ccccc5c5sc6ccccc6c45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C43H25N3OS/c1-3-13-26(14-4-1)41-44-42(27-15-5-2-6-16-27)46-43(45-41)33-24-23-30(39-37(33)31-19-9-11-21-35(31)47-39)34-25-28-17-7-8-18-29(28)40-38(34)32-20-10-12-22-36(32)48-40/h1-25H
InChIKeyPXXFXQWUQVFVHW-UHFFFAOYSA-N
MW631.76 g/mol
LogP11.96
Rot. Bonds4

About 2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine

2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 163886647) has the molecular formula C43H25N3OS and a molecular weight of 631.76 g/mol. Its IUPAC name is 2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID163886647
Molecular FormulaC43H25N3OS
Molecular Weight631.76 g/mol
Exact Mass631.17
IUPAC Name2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5ccccc5c5sc6ccccc6c45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C43H25N3OS/c1-3-13-26(14-4-1)41-44-42(27-15-5-2-6-16-27)46-43(45-41)33-24-23-30(39-37(33)31-19-9-11-21-35(31)47-39)34-25-28-17-7-8-18-29(28)40-38(34)32-20-10-12-22-36(32)48-40/h1-25H
InChIKeyPXXFXQWUQVFVHW-UHFFFAOYSA-N
XLogP11.96
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.76
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167132528
2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-6-yl-6-phenyl-1,3,5-triazine
CID 174310513
2-(4-naphtho[2,1-b][1]benzofuran-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 158469759
2-naphtho[1,2-b][1]benzothiol-6-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 174310512
2-(6-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166740989
2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743560
2-dibenzofuran-1-yl-4-(10,15-dioxa-25-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16,18,20-undecaen-17-yl)-6-phenyl-1,3,5-triazine
CID 162700730
2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 177130748
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155078795
2-naphthalen-2-yl-4-(4-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163627854
2,4-diphenyl-6-[9-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170198434
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166741703

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine (CID 163886647) is 2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5ccccc5c5sc6ccccc6c45)c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is PXXFXQWUQVFVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3OS/c1-3-13-26(14-4-1)41-44-42(27-15-5-2-6-16-27)46-43(45-41)33-24-23-30(39-37(33)31-19-9-11-21-35(31)47-39)34-25-28-17-7-8-18-29(28)40-38(34)32-20-10-12-22-36(32)48-40/h1-25H.
What are the key properties of 2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 631.76 g/mol, XLogP of 11.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 163886647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).