6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine

C51H33N3S — CID 147640194

IUPAC6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)=NC(c3cccc(-c4ccccc4)c3)N2)cc1
InChIInChI=1S/C51H33N3S/c1-3-13-32(14-4-1)34-17-11-18-37(29-34)50-52-49(33-15-5-2-6-16-33)53-51(54-50)43-23-12-24-47-48(43)45-31-36(26-28-46(45)55-47)35-25-27-42-40-21-8-7-19-38(40)39-20-9-10-22-41(39)44(42)30-35/h1-31,50H,(H,52,53,54)
InChIKeyGQWYISLDTQGOBG-UHFFFAOYSA-N
MW719.91 g/mol
LogP13.34
Rot. Bonds5

About 6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine

6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine (PubChem CID 147640194) has the molecular formula C51H33N3S and a molecular weight of 719.91 g/mol. Its IUPAC name is 6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine
PubChem CID147640194
Molecular FormulaC51H33N3S
Molecular Weight719.91 g/mol
Exact Mass719.24
IUPAC Name6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)=NC(c3cccc(-c4ccccc4)c3)N2)cc1
InChIInChI=1S/C51H33N3S/c1-3-13-32(14-4-1)34-17-11-18-37(29-34)50-52-49(33-15-5-2-6-16-33)53-51(54-50)43-23-12-24-47-48(43)45-31-36(26-28-46(45)55-47)35-25-27-42-40-21-8-7-19-38(40)39-20-9-10-22-41(39)44(42)30-35/h1-31,50H,(H,52,53,54)
InChIKeyGQWYISLDTQGOBG-UHFFFAOYSA-N
XLogP13.34
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 513.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,2-dihydro-1,3,5-triazine
CID 137285252
4-dibenzothiophen-3-yl-2-phenyl-6-(3-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167233632
6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
CID 155327295
6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 174310067
1-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-8-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridine
CID 155327328
4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574841
9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555390
2-dibenzothiophen-2-yl-12-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 163940278
4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167185632
9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole
CID 162780279
4,6-diphenyl-2-[3-[3-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 164569224
4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine
CID 167029864

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine (CID 147640194) is 6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)=NC(c3cccc(-c4ccccc4)c3)N2)cc1.
What is the InChIKey of 6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine?
The InChIKey is GQWYISLDTQGOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3S/c1-3-13-32(14-4-1)34-17-11-18-37(29-34)50-52-49(33-15-5-2-6-16-33)53-51(54-50)43-23-12-24-47-48(43)45-31-36(26-28-46(45)55-47)35-25-27-42-40-21-8-7-19-38(40)39-20-9-10-22-41(39)44(42)30-35/h1-31,50H,(H,52,53,54).
What are the key properties of 6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine?
6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine has a molecular weight of 719.91 g/mol, XLogP of 13.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 147640194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).