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

C51H34N4S2 — CID 166962590

IUPAC9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4sc5cc(-c6ccc7c(c6)sc6cc(-n8c9ccccc9c9ccccc98)ccc67)ccc5c34)N2)cc1
InChIInChI=1S/C51H34N4S2/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)41-18-11-21-44-48(41)40-26-23-34(29-46(40)56-44)33-22-25-38-39-27-24-35(30-47(39)57-45(38)28-33)55-42-19-9-7-16-36(42)37-17-8-10-20-43(37)55/h1-30,49,51,53H,(H,52,54)
InChIKeyXBCWYWWPWKQHHN-UHFFFAOYSA-N
MW767.00 g/mol
LogP13.52
Rot. Bonds5

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

9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole (PubChem CID 166962590) has the molecular formula C51H34N4S2 and a molecular weight of 767.00 g/mol. Its IUPAC name is 9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole.

Molecular Properties

Compound Name9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
PubChem CID166962590
Molecular FormulaC51H34N4S2
Molecular Weight767.00 g/mol
Exact Mass766.22
IUPAC Name9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4sc5cc(-c6ccc7c(c6)sc6cc(-n8c9ccccc9c9ccccc98)ccc67)ccc5c34)N2)cc1
InChIInChI=1S/C51H34N4S2/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)41-18-11-21-44-48(41)40-26-23-34(29-46(40)56-44)33-22-25-38-39-27-24-35(30-47(39)57-45(38)28-33)55-42-19-9-7-16-36(42)37-17-8-10-20-43(37)55/h1-30,49,51,53H,(H,52,54)
InChIKeyXBCWYWWPWKQHHN-UHFFFAOYSA-N
XLogP13.52
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.00
LogP ≤ 513.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole
CID 146664344
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-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole
CID 166962389
3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 145064186
9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 166961997
9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 166962088
9-[8-[8-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-3-yl]carbazole
CID 166962316
9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174269557
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452
9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 166962552
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067

Frequently Asked Questions

What is the IUPAC name of 9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole?
The IUPAC name of 9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole (CID 166962590) is 9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole.
What is the SMILES notation for 9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole?
The canonical SMILES for 9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole is c1ccc(C2=NC(c3ccccc3)NC(c3cccc4sc5cc(-c6ccc7c(c6)sc6cc(-n8c9ccccc9c9ccccc98)ccc67)ccc5c34)N2)cc1.
What is the InChIKey of 9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole?
The InChIKey is XBCWYWWPWKQHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4S2/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)41-18-11-21-44-48(41)40-26-23-34(29-46(40)56-44)33-22-25-38-39-27-24-35(30-47(39)57-45(38)28-33)55-42-19-9-7-16-36(42)37-17-8-10-20-43(37)55/h1-30,49,51,53H,(H,52,54).
What are the key properties of 9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole?
9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole has a molecular weight of 767.00 g/mol, XLogP of 13.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole is sourced from PubChem (CID 166962590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).