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

C43H25N3OS — CID 177130835

IUPAC2-(9-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4oc5cc(-c6ccc7sc8ccccc8c7c6)ccc5c34)n2)cc1
InChIInChI=1S/C43H25N3OS/c1-3-11-26(12-4-1)41-44-42(27-13-5-2-6-14-27)46-43(45-41)35-24-30-15-7-8-16-31(30)40-39(35)33-21-19-29(25-36(33)47-40)28-20-22-38-34(23-28)32-17-9-10-18-37(32)48-38/h1-25H
InChIKeyHUNGSZREHAKXEX-UHFFFAOYSA-N
MW631.76 g/mol
LogP11.96
Rot. Bonds4

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

2-(9-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 177130835) has the molecular formula C43H25N3OS and a molecular weight of 631.76 g/mol. Its IUPAC name is 2-(9-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID177130835
Molecular FormulaC43H25N3OS
Molecular Weight631.76 g/mol
Exact Mass631.17
IUPAC Name2-(9-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4oc5cc(-c6ccc7sc8ccccc8c7c6)ccc5c34)n2)cc1
InChIInChI=1S/C43H25N3OS/c1-3-11-26(12-4-1)41-44-42(27-13-5-2-6-14-27)46-43(45-41)35-24-30-15-7-8-16-31(30)40-39(35)33-21-19-29(25-36(33)47-40)28-20-22-38-34(23-28)32-17-9-10-18-37(32)48-38/h1-25H
InChIKeyHUNGSZREHAKXEX-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-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853773
2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775616
2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 177130748
2-naphthalen-2-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine
CID 177130942
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171597044
2-(7-dibenzothiophen-2-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377310
2-dibenzothiophen-2-yl-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170301810
2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853446
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 162780117
2-dibenzothiophen-3-yl-4-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166742671
2-dibenzothiophen-2-yl-4-(1-phenyldibenzofuran-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176831417
2-dibenzothiophen-3-yl-4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)-6-phenyl-1,3,5-triazine
CID 166845145

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(9-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine (CID 177130835) is 2-(9-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(9-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4oc5cc(-c6ccc7sc8ccccc8c7c6)ccc5c34)n2)cc1.
What is the InChIKey of 2-(9-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is HUNGSZREHAKXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3OS/c1-3-11-26(12-4-1)41-44-42(27-13-5-2-6-14-27)46-43(45-41)35-24-30-15-7-8-16-31(30)40-39(35)33-21-19-29(25-36(33)47-40)28-20-22-38-34(23-28)32-17-9-10-18-37(32)48-38/h1-25H.
What are the key properties of 2-(9-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine?
2-(9-dibenzothiophen-2-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-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 177130835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).