8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane

C51H36N4S — CID 142569902

IUPAC8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
SMILESCC.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccc6ccccc6c5c5cccc(-c6ccc7sc8ccccc8c7c6)c54)n3)cc2)cc1
InChIInChI=1S/C49H30N4S.C2H6/c1-3-12-31(13-4-1)32-22-24-35(25-23-32)48-50-47(34-15-5-2-6-16-34)51-49(52-48)53-42-28-26-33-14-7-8-17-37(33)45(42)40-20-11-19-38(46(40)53)36-27-29-44-41(30-36)39-18-9-10-21-43(39)54-44;1-2/h1-30H;1-2H3
InChIKeyRLQHCJHGCKQEIX-UHFFFAOYSA-N
MW736.94 g/mol
LogP14.18
Rot. Bonds5

About 8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane

8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane (PubChem CID 142569902) has the molecular formula C51H36N4S and a molecular weight of 736.94 g/mol. Its IUPAC name is 8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane.

Molecular Properties

Compound Name8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
PubChem CID142569902
Molecular FormulaC51H36N4S
Molecular Weight736.94 g/mol
Exact Mass736.27
IUPAC Name8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
SMILESCC.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccc6ccccc6c5c5cccc(-c6ccc7sc8ccccc8c7c6)c54)n3)cc2)cc1
InChIInChI=1S/C49H30N4S.C2H6/c1-3-12-31(13-4-1)32-22-24-35(25-23-32)48-50-47(34-15-5-2-6-16-34)51-49(52-48)53-42-28-26-33-14-7-8-17-37(33)45(42)40-20-11-19-38(46(40)53)36-27-29-44-41(30-36)39-18-9-10-21-43(39)54-44;1-2/h1-30H;1-2H3
InChIKeyRLQHCJHGCKQEIX-UHFFFAOYSA-N
XLogP14.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.94
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane 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

8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole
CID 142572167
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane
CID 142570568
4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
CID 142570066
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
CID 142571631
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
CID 142570234
8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570090
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
8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142570369
7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole
CID 142571736
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
3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 161317954

Frequently Asked Questions

What is the IUPAC name of 8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane?
The IUPAC name of 8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane (CID 142569902) is 8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane.
What is the SMILES notation for 8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane?
The canonical SMILES for 8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane is CC.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccc6ccccc6c5c5cccc(-c6ccc7sc8ccccc8c7c6)c54)n3)cc2)cc1.
What is the InChIKey of 8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane?
The InChIKey is RLQHCJHGCKQEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4S.C2H6/c1-3-12-31(13-4-1)32-22-24-35(25-23-32)48-50-47(34-15-5-2-6-16-34)51-49(52-48)53-42-28-26-33-14-7-8-17-37(33)45(42)40-20-11-19-38(46(40)53)36-27-29-44-41(30-36)39-18-9-10-21-43(39)54-44;1-2/h1-30H;1-2H3.
What are the key properties of 8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane?
8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane has a molecular weight of 736.94 g/mol, XLogP of 14.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane is sourced from PubChem (CID 142569902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).