2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine

C39H23N3OS — CID 174259541

IUPAC2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C39H23N3OS/c1-3-12-24(13-4-1)31-22-26(23-33-35(31)29-17-7-9-20-32(29)43-33)38-40-37(25-14-5-2-6-15-25)41-39(42-38)30-19-11-18-28-27-16-8-10-21-34(27)44-36(28)30/h1-23H
InChIKeyIYIHVXXSQKMWHX-UHFFFAOYSA-N
MW581.70 g/mol
LogP10.81
Rot. Bonds4

About 2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine

2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine (PubChem CID 174259541) has the molecular formula C39H23N3OS and a molecular weight of 581.70 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
PubChem CID174259541
Molecular FormulaC39H23N3OS
Molecular Weight581.70 g/mol
Exact Mass581.16
IUPAC Name2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C39H23N3OS/c1-3-12-24(13-4-1)31-22-26(23-33-35(31)29-17-7-9-20-32(29)43-33)38-40-37(25-14-5-2-6-15-25)41-39(42-38)30-19-11-18-28-27-16-8-10-21-34(27)44-36(28)30/h1-23H
InChIKeyIYIHVXXSQKMWHX-UHFFFAOYSA-N
XLogP10.81
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.70
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259797
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170301891
2-dibenzothiophen-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952877
2-phenyl-4-[6-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200988
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-dibenzothiophen-4-yl-4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164723733
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 147864491
2-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 176773463
2-(4-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166743049
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzothiophen-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170207728
2-(7-naphtho[1,2-b][1]benzothiol-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741125
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine (CID 174259541) is 2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The InChIKey is IYIHVXXSQKMWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3OS/c1-3-12-24(13-4-1)31-22-26(23-33-35(31)29-17-7-9-20-32(29)43-33)38-40-37(25-14-5-2-6-15-25)41-39(42-38)30-19-11-18-28-27-16-8-10-21-34(27)44-36(28)30/h1-23H.
What are the key properties of 2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine has a molecular weight of 581.70 g/mol, XLogP of 10.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 174259541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).