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

C45H30N4S — CID 166961473

IUPAC9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc4sc5cc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)ccc5c4c3)=N2)cc1
InChIInChI=1S/C45H30N4S/c1-4-12-29(13-5-1)32-20-23-36-35-18-10-11-19-39(35)49(40(36)27-32)34-22-24-37-38-26-33(21-25-41(38)50-42(37)28-34)45-47-43(30-14-6-2-7-15-30)46-44(48-45)31-16-8-3-9-17-31/h1-28,43H,(H,46,47,48)
InChIKeyZXZRNJRQURYROP-UHFFFAOYSA-N
MW658.83 g/mol
LogP11.31
Rot. Bonds5

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

9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole (PubChem CID 166961473) has the molecular formula C45H30N4S and a molecular weight of 658.83 g/mol. Its IUPAC name is 9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
PubChem CID166961473
Molecular FormulaC45H30N4S
Molecular Weight658.83 g/mol
Exact Mass658.22
IUPAC Name9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc4sc5cc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)ccc5c4c3)=N2)cc1
InChIInChI=1S/C45H30N4S/c1-4-12-29(13-5-1)32-20-23-36-35-18-10-11-19-39(35)49(40(36)27-32)34-22-24-37-38-26-33(21-25-41(38)50-42(37)28-34)45-47-43(30-14-6-2-7-15-30)46-44(48-45)31-16-8-3-9-17-31/h1-28,43H,(H,46,47,48)
InChIKeyZXZRNJRQURYROP-UHFFFAOYSA-N
XLogP11.31
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.83
LogP ≤ 511.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555379
9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555390
9-[3-(6-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-phenylcarbazole
CID 174276551
2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole
CID 142504958
9-[17-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole
CID 146664251
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 166962570
7-[4-[6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 166961463
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
3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole
CID 163899540
2-phenyl-9-[8-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]carbazole
CID 166961321
9-[17-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]-2-phenylcarbazole
CID 146665085
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 166962153

Frequently Asked Questions

What is the IUPAC name of 9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole?
The IUPAC name of 9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole (CID 166961473) is 9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole.
What is the SMILES notation for 9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole?
The canonical SMILES for 9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole is c1ccc(C2=NC(c3ccccc3)NC(c3ccc4sc5cc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)ccc5c4c3)=N2)cc1.
What is the InChIKey of 9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole?
The InChIKey is ZXZRNJRQURYROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4S/c1-4-12-29(13-5-1)32-20-23-36-35-18-10-11-19-39(35)49(40(36)27-32)34-22-24-37-38-26-33(21-25-41(38)50-42(37)28-34)45-47-43(30-14-6-2-7-15-30)46-44(48-45)31-16-8-3-9-17-31/h1-28,43H,(H,46,47,48).
What are the key properties of 9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole?
9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole has a molecular weight of 658.83 g/mol, XLogP of 11.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole is sourced from PubChem (CID 166961473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).