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

C51H32N4OS — CID 163906905

IUPAC9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(C2=NC(c3cccc4sc5c(-c6ccc7c(c6)oc6cc(-n8c9ccccc9c9ccccc98)ccc67)cccc5c34)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C51H32N4OS/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)41-21-12-24-46-47(41)40-20-11-19-35(48(40)57-46)33-25-27-38-39-28-26-34(30-45(39)56-44(38)29-33)55-42-22-9-7-17-36(42)37-18-8-10-23-43(37)55/h1-30,51H,(H,52,53,54)
InChIKeyQORZOEHYWFOWPL-UHFFFAOYSA-N
MW748.91 g/mol
LogP13.21
Rot. Bonds5

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

9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole (PubChem CID 163906905) has the molecular formula C51H32N4OS and a molecular weight of 748.91 g/mol. Its IUPAC name is 9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole
PubChem CID163906905
Molecular FormulaC51H32N4OS
Molecular Weight748.91 g/mol
Exact Mass748.23
IUPAC Name9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(C2=NC(c3cccc4sc5c(-c6ccc7c(c6)oc6cc(-n8c9ccccc9c9ccccc98)ccc67)cccc5c34)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C51H32N4OS/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)41-21-12-24-46-47(41)40-20-11-19-35(48(40)57-46)33-25-27-38-39-28-26-34(30-45(39)56-44(38)29-33)55-42-22-9-7-17-36(42)37-18-8-10-23-43(37)55/h1-30,51H,(H,52,53,54)
InChIKeyQORZOEHYWFOWPL-UHFFFAOYSA-N
XLogP13.21
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.91
LogP ≤ 513.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 166962153
9-[7-(2-dibenzofuran-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 146395683
9-[9-(2-dibenzofuran-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole
CID 166961520
4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 163577931
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-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
9-[7-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole
CID 166962322
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
9-[17-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]-2-phenylcarbazole
CID 146665085
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole
CID 169010610
9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-1-ium-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole
CID 163821932

Frequently Asked Questions

What is the IUPAC name of 9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole?
The IUPAC name of 9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole (CID 163906905) is 9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole?
The canonical SMILES for 9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole is c1ccc(C2=NC(c3cccc4sc5c(-c6ccc7c(c6)oc6cc(-n8c9ccccc9c9ccccc98)ccc67)cccc5c34)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole?
The InChIKey is QORZOEHYWFOWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4OS/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)41-21-12-24-46-47(41)40-20-11-19-35(48(40)57-46)33-25-27-38-39-28-26-34(30-45(39)56-44(38)29-33)55-42-22-9-7-17-36(42)37-18-8-10-23-43(37)55/h1-30,51H,(H,52,53,54).
What are the key properties of 9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole?
9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole has a molecular weight of 748.91 g/mol, XLogP of 13.21, 5 rotatable bonds, 1 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-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 163906905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).