2-(3,5-diphenylphenyl)-4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine

C55H33N3OS — CID 171430819

IUPAC2-(3,5-diphenylphenyl)-4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILES[2H]c1c([2H])c(-c2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)n2)c2c(sc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c32)c1[2H]
InChIInChI=1S/C55H33N3OS/c1-4-14-34(15-5-1)39-30-40(35-16-6-2-7-17-35)32-41(31-39)54-56-53(38-27-28-44-48(33-38)59-47-24-12-22-42(50(44)47)36-18-8-3-9-19-36)57-55(58-54)46-23-13-25-49-51(46)45-29-26-37-20-10-11-21-43(37)52(45)60-49/h1-33H/i10D,11D,13D,20D,21D,23D,25D,26D,29D
InChIKeyJGCIWXJGFHQWEM-WXXRWHEGSA-N
MW793.01 g/mol
LogP15.29
Rot. Bonds6

About 2-(3,5-diphenylphenyl)-4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine

2-(3,5-diphenylphenyl)-4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine (PubChem CID 171430819) has the molecular formula C55H33N3OS and a molecular weight of 793.01 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,5-diphenylphenyl)-4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
PubChem CID171430819
Molecular FormulaC55H33N3OS
Molecular Weight793.01 g/mol
Exact Mass792.29
IUPAC Name2-(3,5-diphenylphenyl)-4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILES[2H]c1c([2H])c(-c2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)n2)c2c(sc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c32)c1[2H]
InChIInChI=1S/C55H33N3OS/c1-4-14-34(15-5-1)39-30-40(35-16-6-2-7-17-35)32-41(31-39)54-56-53(38-27-28-44-48(33-38)59-47-24-12-22-42(50(44)47)36-18-8-3-9-19-36)57-55(58-54)46-23-13-25-49-51(46)45-29-26-37-20-10-11-21-43(37)52(45)60-49/h1-33H/i10D,11D,13D,20D,21D,23D,25D,26D,29D
InChIKeyJGCIWXJGFHQWEM-WXXRWHEGSA-N
XLogP15.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.01
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-diphenylphenyl)-4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4,5,6,8,9-hexadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171431099
2-[4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171430889
2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-(9-phenyldibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 171430903
2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171431027
2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797978
2-[7-(3,5-diphenylphenyl)dibenzofuran-1-yl]-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171414704
2-[9-[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797878
1,2,3,6,7,8,9,10,11-nonadeuterio-12-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenyl-[1]benzothiolo[3,2-a]carbazole
CID 164932878
2-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 168769768
2-(3,5-diphenylphenyl)-4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797691
2-(4-dibenzofuran-1-ylphenyl)-4,6-bis(1,2,3,4,5,7,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-6-yl)-1,3,5-triazine
CID 176775578
2-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164798089

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The IUPAC name of 2-(3,5-diphenylphenyl)-4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine (CID 171430819) is 2-(3,5-diphenylphenyl)-4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(3,5-diphenylphenyl)-4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-(3,5-diphenylphenyl)-4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine is [2H]c1c([2H])c(-c2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)n2)c2c(sc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c32)c1[2H].
What is the InChIKey of 2-(3,5-diphenylphenyl)-4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The InChIKey is JGCIWXJGFHQWEM-WXXRWHEGSA-N. The full InChI is InChI=1S/C55H33N3OS/c1-4-14-34(15-5-1)39-30-40(35-16-6-2-7-17-35)32-41(31-39)54-56-53(38-27-28-44-48(33-38)59-47-24-12-22-42(50(44)47)36-18-8-3-9-19-36)57-55(58-54)46-23-13-25-49-51(46)45-29-26-37-20-10-11-21-43(37)52(45)60-49/h1-33H/i10D,11D,13D,20D,21D,23D,25D,26D,29D.
What are the key properties of 2-(3,5-diphenylphenyl)-4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
2-(3,5-diphenylphenyl)-4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine has a molecular weight of 793.01 g/mol, XLogP of 15.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylphenyl)-4-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-7-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 171430819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).