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

C51H36N4S2 — CID 166962834

IUPAC9-[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
SMILESC1=CCC(C2NC(c3ccccc3)=NC(c3ccc4c(c3)sc3cccc(-c5cccc6c5sc5cccc(-n7c8ccccc8c8ccccc87)c56)c34)N2)C=C1
InChIInChI=1S/C51H36N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)33-28-29-38-45(30-33)56-43-26-12-20-36(46(38)43)37-21-11-22-39-47-42(25-13-27-44(47)57-48(37)39)55-40-23-9-7-18-34(40)35-19-8-10-24-41(35)55/h1-16,18-30,32,50-51,54H,17H2,(H,52,53)
InChIKeyDKKHYWPTECWMDB-UHFFFAOYSA-N
MW769.01 g/mol
LogP13.28
Rot. Bonds5

About 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

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 (PubChem CID 166962834) has the molecular formula C51H36N4S2 and a molecular weight of 769.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID166962834
Molecular FormulaC51H36N4S2
Molecular Weight769.01 g/mol
Exact Mass768.24
IUPAC Name9-[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
SMILESC1=CCC(C2NC(c3ccccc3)=NC(c3ccc4c(c3)sc3cccc(-c5cccc6c5sc5cccc(-n7c8ccccc8c8ccccc87)c56)c34)N2)C=C1
InChIInChI=1S/C51H36N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)33-28-29-38-45(30-33)56-43-26-12-20-36(46(38)43)37-21-11-22-39-47-42(25-13-27-44(47)57-48(37)39)55-40-23-9-7-18-34(40)35-19-8-10-24-41(35)55/h1-16,18-30,32,50-51,54H,17H2,(H,52,53)
InChIKeyDKKHYWPTECWMDB-UHFFFAOYSA-N
XLogP13.28
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.01
LogP ≤ 513.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole
CID 166962280
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-[9-[6-(6-cyclohexa-2,4-dien-1-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]dibenzothiophen-3-yl]carbazole
CID 166962305
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
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-[7-[7-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)dibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole
CID 163570136
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-1-yl]carbazole
CID 169011191
12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole
CID 145327150
9-[4-(3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1-phenylcarbazole
CID 163513033
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole
CID 169011465
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
CID 139555389
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-1-yl]carbazole
CID 169010953

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CCC(C2NC(c3ccccc3)=NC(c3ccc4c(c3)sc3cccc(-c5cccc6c5sc5cccc(-n7c8ccccc8c8ccccc87)c56)c34)N2)C=C1.
What is the InChIKey of 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?
The InChIKey is DKKHYWPTECWMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)33-28-29-38-45(30-33)56-43-26-12-20-36(46(38)43)37-21-11-22-39-47-42(25-13-27-44(47)57-48(37)39)55-40-23-9-7-18-34(40)35-19-8-10-24-41(35)55/h1-16,18-30,32,50-51,54H,17H2,(H,52,53).
What are the key properties of 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?
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 has a molecular weight of 769.01 g/mol, XLogP of 13.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166962834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).