2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine

C39H25N3OS — CID 170187158

IUPAC2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4oc5cccc(-c6ccccc6)c5c34)N=C(c3cccc4c3sc3ccccc34)N2)cc1
InChIInChI=1S/C39H25N3OS/c1-3-12-24(13-4-1)26-17-10-21-31-34(26)35-29(19-11-22-32(35)43-31)38-40-37(25-14-5-2-6-15-25)41-39(42-38)30-20-9-18-28-27-16-7-8-23-33(27)44-36(28)30/h1-23,38H,(H,40,41,42)
InChIKeyODSWWGPCPYFXTP-UHFFFAOYSA-N
MW583.72 g/mol
LogP10.12
Rot. Bonds4

About 2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine

2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine (PubChem CID 170187158) has the molecular formula C39H25N3OS and a molecular weight of 583.72 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
PubChem CID170187158
Molecular FormulaC39H25N3OS
Molecular Weight583.72 g/mol
Exact Mass583.17
IUPAC Name2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4oc5cccc(-c6ccccc6)c5c34)N=C(c3cccc4c3sc3ccccc34)N2)cc1
InChIInChI=1S/C39H25N3OS/c1-3-12-24(13-4-1)26-17-10-21-31-34(26)35-29(19-11-22-32(35)43-31)38-40-37(25-14-5-2-6-15-25)41-39(42-38)30-20-9-18-28-27-16-7-8-23-33(27)44-36(28)30/h1-23,38H,(H,40,41,42)
InChIKeyODSWWGPCPYFXTP-UHFFFAOYSA-N
XLogP10.12
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.72
LogP ≤ 510.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzothiophen-4-yl-6-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 167029654
4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170187141
2-chrysen-1-yl-4-dibenzothiophen-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 163690426
9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl]carbazole
CID 146664219
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170145482
2-dibenzothiophen-2-yl-4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 123716459
4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029876
2-naphthalen-1-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030014
2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030224
2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole
CID 146513508
2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030009
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030467

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine (CID 170187158) is 2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc4oc5cccc(-c6ccccc6)c5c34)N=C(c3cccc4c3sc3ccccc34)N2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is ODSWWGPCPYFXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3OS/c1-3-12-24(13-4-1)26-17-10-21-31-34(26)35-29(19-11-22-32(35)43-31)38-40-37(25-14-5-2-6-15-25)41-39(42-38)30-20-9-18-28-27-16-7-8-23-33(27)44-36(28)30/h1-23,38H,(H,40,41,42).
What are the key properties of 2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine?
2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 583.72 g/mol, XLogP of 10.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170187158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).