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

C45H30N4S — CID 142504958

IUPAC2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(C2N=C(c3ccc4c(c3)sc3ccccc34)N=C(c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)N2)cc1
InChIInChI=1S/C45H30N4S/c1-3-12-29(13-4-1)43-46-44(48-45(47-43)33-23-25-38-37-19-8-10-21-41(37)50-42(38)28-33)32-15-11-14-30(26-32)31-22-24-36-35-18-7-9-20-39(35)49(40(36)27-31)34-16-5-2-6-17-34/h1-28,43H,(H,46,47,48)
InChIKeyMWKCEECDRXFPHS-UHFFFAOYSA-N
MW658.83 g/mol
LogP11.31
Rot. Bonds5

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

2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole (PubChem CID 142504958) has the molecular formula C45H30N4S and a molecular weight of 658.83 g/mol. Its IUPAC name is 2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole
PubChem CID142504958
Molecular FormulaC45H30N4S
Molecular Weight658.83 g/mol
Exact Mass658.22
IUPAC Name2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(C2N=C(c3ccc4c(c3)sc3ccccc34)N=C(c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)N2)cc1
InChIInChI=1S/C45H30N4S/c1-3-12-29(13-4-1)43-46-44(48-45(47-43)33-23-25-38-37-19-8-10-21-41(37)50-42(38)28-33)32-15-11-14-30(26-32)31-22-24-36-35-18-7-9-20-39(35)49(40(36)27-31)34-16-5-2-6-17-34/h1-28,43H,(H,46,47,48)
InChIKeyMWKCEECDRXFPHS-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 2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-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

9-[3-(6-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-phenylcarbazole
CID 174276551
9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
CID 166961473
9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555379
4-dibenzothiophen-3-yl-2-phenyl-6-(3-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167233632
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
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
9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555390
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
CID 139555389
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
2-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,2-dihydropyrimidin-2-yl)phenyl]-9-phenylcarbazole
CID 149248935
2-phenyl-9-[8-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]carbazole
CID 166961321
2-dibenzothiophen-4-yl-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]carbazole
CID 166736754

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole (CID 142504958) is 2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole is c1ccc(C2N=C(c3ccc4c(c3)sc3ccccc34)N=C(c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)N2)cc1.
What is the InChIKey of 2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole?
The InChIKey is MWKCEECDRXFPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4S/c1-3-12-29(13-4-1)43-46-44(48-45(47-43)33-23-25-38-37-19-8-10-21-41(37)50-42(38)28-33)32-15-11-14-30(26-32)31-22-24-36-35-18-7-9-20-39(35)49(40(36)27-31)34-16-5-2-6-17-34/h1-28,43H,(H,46,47,48).
What are the key properties of 2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole?
2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-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 2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 142504958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).