4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole

C51H32N4S2 — CID 163594351

IUPAC4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
SMILESc1ccc(C2=NC(c3ccc4sc5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5c4c3)N=C(c3cccc4sc5ccccc5c34)N2)cc1
InChIInChI=1S/C51H32N4S2/c1-3-13-31(14-4-1)49-52-50(54-51(53-49)38-20-12-24-46-48(38)37-18-8-10-23-43(37)57-46)33-26-28-45-40(30-33)39-29-32(25-27-44(39)56-45)35-19-11-22-42-47(35)36-17-7-9-21-41(36)55(42)34-15-5-2-6-16-34/h1-30,50H,(H,52,53,54)
InChIKeyGSDDJLKALQTGCJ-UHFFFAOYSA-N
MW764.98 g/mol
LogP13.68
Rot. Bonds5

About 4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole

4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole (PubChem CID 163594351) has the molecular formula C51H32N4S2 and a molecular weight of 764.98 g/mol. Its IUPAC name is 4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
PubChem CID163594351
Molecular FormulaC51H32N4S2
Molecular Weight764.98 g/mol
Exact Mass764.21
IUPAC Name4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
SMILESc1ccc(C2=NC(c3ccc4sc5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5c4c3)N=C(c3cccc4sc5ccccc5c34)N2)cc1
InChIInChI=1S/C51H32N4S2/c1-3-13-31(14-4-1)49-52-50(54-51(53-49)38-20-12-24-46-48(38)37-18-8-10-23-43(37)57-46)33-26-28-45-40(30-33)39-29-32(25-27-44(39)56-45)35-19-11-22-42-47(35)36-17-7-9-21-41(36)55(42)34-15-5-2-6-16-34/h1-30,50H,(H,52,53,54)
InChIKeyGSDDJLKALQTGCJ-UHFFFAOYSA-N
XLogP13.68
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.98
LogP ≤ 513.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole 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-[3-[2-cyclohexa-1,5-dien-1-yl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 139556427
2-[9-(3-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510074
4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 160649788
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510069
2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 166510060
7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122599828
2-[9-(2-dibenzothiophen-2-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510089
6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]thieno[2,3-c]carbazole
CID 123393594
2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 167452874
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154

Frequently Asked Questions

What is the IUPAC name of 4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole?
The IUPAC name of 4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole (CID 163594351) is 4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole is c1ccc(C2=NC(c3ccc4sc5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5c4c3)N=C(c3cccc4sc5ccccc5c34)N2)cc1.
What is the InChIKey of 4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole?
The InChIKey is GSDDJLKALQTGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4S2/c1-3-13-31(14-4-1)49-52-50(54-51(53-49)38-20-12-24-46-48(38)37-18-8-10-23-43(37)57-46)33-26-28-45-40(30-33)39-29-32(25-27-44(39)56-45)35-19-11-22-42-47(35)36-17-7-9-21-41(36)55(42)34-15-5-2-6-16-34/h1-30,50H,(H,52,53,54).
What are the key properties of 4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole?
4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole has a molecular weight of 764.98 g/mol, XLogP of 13.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 163594351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).