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

C43H25N3OS — CID 163544939

IUPAC2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c4ccc4c6ccccc6sc54)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C43H25N3OS/c1-2-10-26(11-3-1)27-20-22-28(23-21-27)41-44-42(46-43(45-41)36-17-8-14-32-30-12-4-6-18-37(30)47-39(32)36)35-16-9-15-33-29(35)24-25-34-31-13-5-7-19-38(31)48-40(33)34/h1-25H
InChIKeyYEUUCCGONZZRAI-UHFFFAOYSA-N
MW631.76 g/mol
LogP11.96
Rot. Bonds4

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

2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 163544939) has the molecular formula C43H25N3OS and a molecular weight of 631.76 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID163544939
Molecular FormulaC43H25N3OS
Molecular Weight631.76 g/mol
Exact Mass631.17
IUPAC Name2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c4ccc4c6ccccc6sc54)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C43H25N3OS/c1-2-10-26(11-3-1)27-20-22-28(23-21-27)41-44-42(46-43(45-41)36-17-8-14-32-30-12-4-6-18-37(30)47-39(32)36)35-16-9-15-33-29(35)24-25-34-31-13-5-7-19-38(31)48-40(33)34/h1-25H
InChIKeyYEUUCCGONZZRAI-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-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
2-dibenzofuran-4-yl-4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 155077964
2-dibenzofuran-4-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952530
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170362985
2-dibenzofuran-4-yl-4-phenyl-6-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)-1,3,5-triazine
CID 166846437
2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 163799019
2-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137496730
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 148788297
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430
2-(6-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
CID 154949233
2-phenyl-4-[8-(4-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166744157

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine (CID 163544939) is 2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc5c4ccc4c6ccccc6sc54)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is YEUUCCGONZZRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3OS/c1-2-10-26(11-3-1)27-20-22-28(23-21-27)41-44-42(46-43(45-41)36-17-8-14-32-30-12-4-6-18-37(30)47-39(32)36)35-16-9-15-33-29(35)24-25-34-31-13-5-7-19-38(31)48-40(33)34/h1-25H.
What are the key properties of 2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-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-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 163544939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).