5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane

C58H42N4S — CID 142570568

IUPAC5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane
SMILESCCC.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5cc6ccccc6cc5c5cccc(-c6ccc7sc8ccccc8c7c6)c54)n3)cc2)cc1
InChIInChI=1S/C55H34N4S.C3H8/c1-3-12-35(13-4-1)37-22-26-39(27-23-37)53-56-54(40-28-24-38(25-29-40)36-14-5-2-6-15-36)58-55(57-53)59-49-34-42-17-8-7-16-41(42)32-47(49)46-20-11-19-44(52(46)59)43-30-31-51-48(33-43)45-18-9-10-21-50(45)60-51;1-3-2/h1-34H;3H2,1-2H3
InChIKeyXVQUJRTYNNGKKE-UHFFFAOYSA-N
MW827.07 g/mol
LogP16.24
Rot. Bonds6

About 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane

5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane (PubChem CID 142570568) has the molecular formula C58H42N4S and a molecular weight of 827.07 g/mol. Its IUPAC name is 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane.

Molecular Properties

Compound Name5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane
PubChem CID142570568
Molecular FormulaC58H42N4S
Molecular Weight827.07 g/mol
Exact Mass826.31
IUPAC Name5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane
SMILESCCC.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5cc6ccccc6cc5c5cccc(-c6ccc7sc8ccccc8c7c6)c54)n3)cc2)cc1
InChIInChI=1S/C55H34N4S.C3H8/c1-3-12-35(13-4-1)37-22-26-39(27-23-37)53-56-54(40-28-24-38(25-29-40)36-14-5-2-6-15-36)58-55(57-53)59-49-34-42-17-8-7-16-41(42)32-47(49)46-20-11-19-44(52(46)59)43-30-31-51-48(33-43)45-18-9-10-21-50(45)60-51;1-3-2/h1-34H;3H2,1-2H3
InChIKeyXVQUJRTYNNGKKE-UHFFFAOYSA-N
XLogP16.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.07
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane 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

4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
CID 142570066
8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142569902
8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole
CID 142572167
4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 142570761
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
CID 142571631
12-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155449939
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 159121688
19-dibenzothiophen-3-yl-21-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane
CID 142571147
21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-naphtho[2,1-b][1]benzothiol-10-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane
CID 142570265
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
CID 142570234
4-dibenzofuran-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142571859
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166916090

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane?
The IUPAC name of 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane (CID 142570568) is 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane.
What is the SMILES notation for 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane?
The canonical SMILES for 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane is CCC.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5cc6ccccc6cc5c5cccc(-c6ccc7sc8ccccc8c7c6)c54)n3)cc2)cc1.
What is the InChIKey of 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane?
The InChIKey is XVQUJRTYNNGKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4S.C3H8/c1-3-12-35(13-4-1)37-22-26-39(27-23-37)53-56-54(40-28-24-38(25-29-40)36-14-5-2-6-15-36)58-55(57-53)59-49-34-42-17-8-7-16-41(42)32-47(49)46-20-11-19-44(52(46)59)43-30-31-51-48(33-43)45-18-9-10-21-50(45)60-51;1-3-2/h1-34H;3H2,1-2H3.
What are the key properties of 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane?
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane has a molecular weight of 827.07 g/mol, XLogP of 16.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane is sourced from PubChem (CID 142570568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).