2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine

C43H27N5OS — CID 155050407

IUPAC2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(Oc2cnc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)nc2-c2ccccc2)cc1
InChIInChI=1S/C43H27N5OS/c1-5-14-28(15-6-1)38-36(49-32-20-11-4-12-21-32)27-44-43(45-38)35-23-13-22-34-33-25-24-31(26-37(33)50-39(34)35)42-47-40(29-16-7-2-8-17-29)46-41(48-42)30-18-9-3-10-19-30/h1-27H
InChIKeyRHWKCKOLMHULCM-UHFFFAOYSA-N
MW661.79 g/mol
LogP11.16
Rot. Bonds7

About 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine

2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 155050407) has the molecular formula C43H27N5OS and a molecular weight of 661.79 g/mol. Its IUPAC name is 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID155050407
Molecular FormulaC43H27N5OS
Molecular Weight661.79 g/mol
Exact Mass661.19
IUPAC Name2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(Oc2cnc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)nc2-c2ccccc2)cc1
InChIInChI=1S/C43H27N5OS/c1-5-14-28(15-6-1)38-36(49-32-20-11-4-12-21-32)27-44-43(45-38)35-23-13-22-34-33-25-24-31(26-37(33)50-39(34)35)42-47-40(29-16-7-2-8-17-29)46-41(48-42)30-18-9-3-10-19-30/h1-27H
InChIKeyRHWKCKOLMHULCM-UHFFFAOYSA-N
XLogP11.16
TPSA73.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.79
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-Chloro-4-[7-(3-ethoxy-pyridin-4-yl)-benzo[b]thiophen-2-yl]-5-fluoro-pyrimidine
CID 86640258
2-Chloro-5-fluoro-4-[7-(3-methoxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidine
CID 87100778
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyl-9,9a-dihydrodibenzofuran-2-yl)-6-(7-pyridin-3-yldibenzothiophen-3-yl)-1,3,5-triazine
CID 138519334
2-[[6-Fluoro-4-[2-(5-fluoropyrimidin-4-yl)-1-benzothiophen-7-yl]-3-pyridinyl]oxy]ethanol
CID 141207189
N-[(Z)-2-aminoethenyl]-N'-[4-[7-[5-(2-aminoethoxy)-2-fluoro-4-pyridinyl]-1-benzothiophen-2-yl]-5-fluoropyrimidin-2-yl]ethane-1,2-diamine
CID 145519934
2-[2-[2-[2-[4-(5H-diazepin-5-yl)but-1-en-2-yl]-5-fluoropyrimidin-4-yl]-1-benzothiophen-7-yl]phenoxy]ethanamine
CID 145519987
(7Z)-7-[(Z)-but-2-enylidene]-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-6-methylidene-4-[4-(trifluoromethyl)phenyl]furo[3,2-d]pyrimidine
CID 155050182
6-Fluoro-4-[3-[3-(6-fluoro-7-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-5-methylphenoxy]-5-methylphenyl]-7-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 168736767
2-(1-Benzothiophen-3-yl)-3-quinolin-4-yloxy-1,8-naphthyridine
CID 23156595
4-(3-Methyl-5-(3-(2-morpholinoethoxy)benzyl)benzo[b]thiophen-2-yl)pyrimidin-2-amine
CID 24878400
4-(5-(3-(2-(Dimethylamino)ethoxy)benzyl)-3-methylbenzo[b]thiophen-2-yl)pyrimidin-2-amine
CID 24878401
6-[(3-Methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 59278040

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine (CID 155050407) is 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(Oc2cnc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is RHWKCKOLMHULCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5OS/c1-5-14-28(15-6-1)38-36(49-32-20-11-4-12-21-32)27-44-43(45-38)35-23-13-22-34-33-25-24-31(26-37(33)50-39(34)35)42-47-40(29-16-7-2-8-17-29)46-41(48-42)30-18-9-3-10-19-30/h1-27H.
What are the key properties of 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine?
2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 661.79 g/mol, XLogP of 11.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155050407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).