9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole

C51H34N4S2 — CID 166962503

IUPAC9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole
SMILESC1=c2sc3cccc(-c4cccc5c4sc4cccc(-n6c7ccccc7c7ccccc76)c45)c3c2=CC(C2=NC(c3ccccc3)=NC(c3ccccc3)N2)C1
InChIInChI=1S/C51H34N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)33-28-29-43-39(30-33)46-36(20-12-26-44(46)56-43)37-21-11-22-38-47-42(25-13-27-45(47)57-48(37)38)55-40-23-9-7-18-34(40)35-19-8-10-24-41(35)55/h1-27,29-30,33,49H,28H2,(H,52,53,54)
InChIKeyKJRAZKATGKMXQZ-UHFFFAOYSA-N
MW767.00 g/mol
LogP11.76
Rot. Bonds5

About 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole

9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole (PubChem CID 166962503) has the molecular formula C51H34N4S2 and a molecular weight of 767.00 g/mol. Its IUPAC name is 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole.

Molecular Properties

Compound Name9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole
PubChem CID166962503
Molecular FormulaC51H34N4S2
Molecular Weight767.00 g/mol
Exact Mass766.22
IUPAC Name9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole
SMILESC1=c2sc3cccc(-c4cccc5c4sc4cccc(-n6c7ccccc7c7ccccc76)c45)c3c2=CC(C2=NC(c3ccccc3)=NC(c3ccccc3)N2)C1
InChIInChI=1S/C51H34N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)33-28-29-43-39(30-33)46-36(20-12-26-44(46)56-43)37-21-11-22-38-47-42(25-13-27-45(47)57-48(37)38)55-40-23-9-7-18-34(40)35-19-8-10-24-41(35)55/h1-27,29-30,33,49H,28H2,(H,52,53,54)
InChIKeyKJRAZKATGKMXQZ-UHFFFAOYSA-N
XLogP11.76
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.00
LogP ≤ 511.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole with MolForge

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Related Compounds

9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzofuran-1-yl]dibenzofuran-1-yl]carbazole
CID 166962024
9-[9-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 163472498
9-[6-[7-(2-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole
CID 166962834
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
CID 139555389
9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole
CID 162780279
9-[6-[9-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]dibenzofuran-1-yl]carbazole
CID 166962038
9-[7-(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(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole
CID 146665133
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 169011010
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010600
5-[2-naphtho[2,3-b][1]benzothiol-1-yl-4-(2-phenyl-6-triphenylen-1-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole
CID 155474597
2-dibenzothiophen-4-yl-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]carbazole
CID 166736754
9-dibenzothiophen-1-yl-3-[9-(3-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole
CID 166952379

Frequently Asked Questions

What is the IUPAC name of 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole?
The IUPAC name of 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole (CID 166962503) is 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole.
What is the SMILES notation for 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole?
The canonical SMILES for 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole is C1=c2sc3cccc(-c4cccc5c4sc4cccc(-n6c7ccccc7c7ccccc76)c45)c3c2=CC(C2=NC(c3ccccc3)=NC(c3ccccc3)N2)C1.
What is the InChIKey of 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole?
The InChIKey is KJRAZKATGKMXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)33-28-29-43-39(30-33)46-36(20-12-26-44(46)56-43)37-21-11-22-38-47-42(25-13-27-45(47)57-48(37)38)55-40-23-9-7-18-34(40)35-19-8-10-24-41(35)55/h1-27,29-30,33,49H,28H2,(H,52,53,54).
What are the key properties of 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole?
9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole has a molecular weight of 767.00 g/mol, XLogP of 11.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole is sourced from PubChem (CID 166962503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).