2-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine

C43H25N3OS — CID 176755171

IUPAC2-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4oc5c(-c6ccccc6)c6ccccc6cc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C43H25N3OS/c1-3-11-26(12-4-1)39-31-16-8-7-15-28(31)23-35-33-24-29(19-21-36(33)47-40(35)39)42-44-41(27-13-5-2-6-14-27)45-43(46-42)30-20-22-38-34(25-30)32-17-9-10-18-37(32)48-38/h1-25H
InChIKeyLWKDXJNVMCFAJS-UHFFFAOYSA-N
MW631.76 g/mol
LogP11.96
Rot. Bonds4

About 2-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine

2-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine (PubChem CID 176755171) has the molecular formula C43H25N3OS and a molecular weight of 631.76 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine
PubChem CID176755171
Molecular FormulaC43H25N3OS
Molecular Weight631.76 g/mol
Exact Mass631.17
IUPAC Name2-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4oc5c(-c6ccccc6)c6ccccc6cc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C43H25N3OS/c1-3-11-26(12-4-1)39-31-16-8-7-15-28(31)23-35-33-24-29(19-21-36(33)47-40(35)39)42-44-41(27-13-5-2-6-14-27)45-43(46-42)30-20-22-38-34(25-30)32-17-9-10-18-37(32)48-38/h1-25H
InChIKeyLWKDXJNVMCFAJS-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

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Related Compounds

2-dibenzofuran-2-yl-4-(10-dibenzothiophen-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 169294112
2-(6-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170213128
2-dibenzothiophen-2-yl-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171597424
2-dibenzofuran-1-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine
CID 170211813
2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 170213203
2-naphthalen-2-yl-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine
CID 170211717
2-[8-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170191928
2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496603
2-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 166009417
2-dibenzofuran-2-yl-4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 148673756
2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-6-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(3,5-diphenylphenyl)-6-naphtho[2,3-b][1]benzofuran-9-yl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163969466
12-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166700414

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine (CID 176755171) is 2-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4oc5c(-c6ccccc6)c6ccccc6cc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine?
The InChIKey is LWKDXJNVMCFAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3OS/c1-3-11-26(12-4-1)39-31-16-8-7-15-28(31)23-35-33-24-29(19-21-36(33)47-40(35)39)42-44-41(27-13-5-2-6-14-27)45-43(46-42)30-20-22-38-34(25-30)32-17-9-10-18-37(32)48-38/h1-25H.
What are the key properties of 2-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine?
2-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-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-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine is sourced from PubChem (CID 176755171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).