2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine

C45H27N3S2 — CID 170199239

IUPAC2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3ccc(-c5ccc(-c6ccccc6)c6c5sc5ccccc56)cc34)n2)cc1
InChIInChI=1S/C45H27N3S2/c1-4-12-28(13-5-1)33-23-24-34(42-41(33)36-18-10-11-19-38(36)50-42)31-21-25-39-37(26-31)35-22-20-32(27-40(35)49-39)45-47-43(29-14-6-2-7-15-29)46-44(48-45)30-16-8-3-9-17-30/h1-27H
InChIKeyMJCKMDDPEDGMAH-UHFFFAOYSA-N
MW673.87 g/mol
LogP12.94
Rot. Bonds5

About 2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine

2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine (PubChem CID 170199239) has the molecular formula C45H27N3S2 and a molecular weight of 673.87 g/mol. Its IUPAC name is 2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
PubChem CID170199239
Molecular FormulaC45H27N3S2
Molecular Weight673.87 g/mol
Exact Mass673.16
IUPAC Name2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3ccc(-c5ccc(-c6ccccc6)c6c5sc5ccccc56)cc34)n2)cc1
InChIInChI=1S/C45H27N3S2/c1-4-12-28(13-5-1)33-23-24-34(42-41(33)36-18-10-11-19-38(36)50-42)31-21-25-39-37(26-31)35-22-20-32(27-40(35)49-39)45-47-43(29-14-6-2-7-15-29)46-44(48-45)30-16-8-3-9-17-30/h1-27H
InChIKeyMJCKMDDPEDGMAH-UHFFFAOYSA-N
XLogP12.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.87
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-[7-(4-phenyldibenzothiophen-1-yl)dibenzothiophen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200211
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167660422
2-(3-dibenzothiophen-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 161029861
2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146648181
2-dibenzothiophen-2-yl-4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050112
2-[3-(8-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377191
4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-[4-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)dibenzothiophen-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 149438795
2-[8-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192267
2-dibenzothiophen-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850235
2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine
CID 155470926
2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402474
2-(8-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952729

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine (CID 170199239) is 2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3ccc(-c5ccc(-c6ccccc6)c6c5sc5ccccc56)cc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine?
The InChIKey is MJCKMDDPEDGMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3S2/c1-4-12-28(13-5-1)33-23-24-34(42-41(33)36-18-10-11-19-38(36)50-42)31-21-25-39-37(26-31)35-22-20-32(27-40(35)49-39)45-47-43(29-14-6-2-7-15-29)46-44(48-45)30-16-8-3-9-17-30/h1-27H.
What are the key properties of 2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine?
2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine has a molecular weight of 673.87 g/mol, XLogP of 12.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine is sourced from PubChem (CID 170199239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).