2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine

C43H25N3OS — CID 177130748

IUPAC2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4oc5cc(-c6cccc7c6sc6ccccc67)ccc5c34)n2)cc1
InChIInChI=1S/C43H25N3OS/c1-3-12-26(13-4-1)41-44-42(27-14-5-2-6-15-27)46-43(45-41)35-24-28-16-7-8-17-30(28)39-38(35)34-23-22-29(25-36(34)47-39)31-19-11-20-33-32-18-9-10-21-37(32)48-40(31)33/h1-25H
InChIKeyOCIODRLZSJCPFC-UHFFFAOYSA-N
MW631.76 g/mol
LogP11.96
Rot. Bonds4

About 2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine

2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 177130748) has the molecular formula C43H25N3OS and a molecular weight of 631.76 g/mol. Its IUPAC name is 2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID177130748
Molecular FormulaC43H25N3OS
Molecular Weight631.76 g/mol
Exact Mass631.17
IUPAC Name2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4oc5cc(-c6cccc7c6sc6ccccc67)ccc5c34)n2)cc1
InChIInChI=1S/C43H25N3OS/c1-3-12-26(13-4-1)41-44-42(27-14-5-2-6-15-27)46-43(45-41)35-24-28-16-7-8-17-30(28)39-38(35)34-23-22-29(25-36(34)47-39)31-19-11-20-33-32-18-9-10-21-37(32)48-40(31)33/h1-25H
InChIKeyOCIODRLZSJCPFC-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-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(9-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 177130835
2-dibenzothiophen-4-yl-4-phenyl-6-[3-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)phenyl]-1,3,5-triazine
CID 176853685
2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775616
2-(7-naphtho[1,2-b][1]benzothiol-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741125
2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 170141313
2-(3-dibenzothiophen-4-ylphenyl)-4-(9-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 139404320
2-(2-dibenzothiophen-4-ylphenyl)-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(7-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-yl]-1,3,5-triazine
CID 159466379
2-dibenzofuran-3-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 154626584
CID 174104062
CID 174104062
2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-6-yl-6-phenyl-1,3,5-triazine
CID 174310513
2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743560
2-(7-dibenzothiophen-4-yldibenzofuran-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazine
CID 168769681

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine (CID 177130748) is 2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4oc5cc(-c6cccc7c6sc6ccccc67)ccc5c34)n2)cc1.
What is the InChIKey of 2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is OCIODRLZSJCPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3OS/c1-3-12-26(13-4-1)41-44-42(27-14-5-2-6-15-27)46-43(45-41)35-24-28-16-7-8-17-30(28)39-38(35)34-23-22-29(25-36(34)47-39)31-19-11-20-33-32-18-9-10-21-37(32)48-40(31)33/h1-25H.
What are the key properties of 2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine?
2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-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-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 177130748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).