4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole

C39H26N4S — CID 137245379

IUPAC4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(C2=NC(c3cccc4c3sc3cc5c(cc34)c3ccccc3n5-c3ccccc3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C39H26N4S/c1-4-13-25(14-5-1)37-40-38(26-15-6-2-7-16-26)42-39(41-37)30-21-12-20-29-32-23-31-28-19-10-11-22-33(28)43(27-17-8-3-9-18-27)34(31)24-35(32)44-36(29)30/h1-24,37H,(H,40,41,42)
InChIKeyDWRFGRUYIWFJGW-UHFFFAOYSA-N
MW582.73 g/mol
LogP9.65
Rot. Bonds4

About 4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole

4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole (PubChem CID 137245379) has the molecular formula C39H26N4S and a molecular weight of 582.73 g/mol. Its IUPAC name is 4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
PubChem CID137245379
Molecular FormulaC39H26N4S
Molecular Weight582.73 g/mol
Exact Mass582.19
IUPAC Name4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(C2=NC(c3cccc4c3sc3cc5c(cc34)c3ccccc3n5-c3ccccc3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C39H26N4S/c1-4-13-25(14-5-1)37-40-38(26-15-6-2-7-16-26)42-39(41-37)30-21-12-20-29-32-23-31-28-19-10-11-22-33(28)43(27-17-8-3-9-18-27)34(31)24-35(32)44-36(29)30/h1-24,37H,(H,40,41,42)
InChIKeyDWRFGRUYIWFJGW-UHFFFAOYSA-N
XLogP9.65
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.73
LogP ≤ 59.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole with MolForge

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Related Compounds

9-[16-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[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 146664369
2-dibenzothiophen-4-yl-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]carbazole
CID 166736754
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
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 137227552
4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 146648770
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
CID 139555389
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
10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 159682498
11-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 137220455
9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole
CID 162780279

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole (CID 137245379) is 4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole is c1ccc(C2=NC(c3cccc4c3sc3cc5c(cc34)c3ccccc3n5-c3ccccc3)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is DWRFGRUYIWFJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4S/c1-4-13-25(14-5-1)37-40-38(26-15-6-2-7-16-26)42-39(41-37)30-21-12-20-29-32-23-31-28-19-10-11-22-33(28)43(27-17-8-3-9-18-27)34(31)24-35(32)44-36(29)30/h1-24,37H,(H,40,41,42).
What are the key properties of 4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 582.73 g/mol, XLogP of 9.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 137245379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).