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

C51H32N4OS — CID 166962322

IUPAC9-[7-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole
SMILESc1ccc(C2=NC(c3cccc4c3oc3c(-c5ccc6c(c5)sc5c(-n7c8ccccc8c8ccccc87)cccc56)cccc34)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C51H32N4OS/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)41-24-12-22-39-38-21-11-20-34(46(38)56-47(39)41)33-28-29-37-40-23-13-27-44(48(40)57-45(37)30-33)55-42-25-9-7-18-35(42)36-19-8-10-26-43(36)55/h1-30,51H,(H,52,53,54)
InChIKeyFTUHJKKPQNXURS-UHFFFAOYSA-N
MW748.91 g/mol
LogP13.21
Rot. Bonds5

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

9-[7-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole (PubChem CID 166962322) has the molecular formula C51H32N4OS and a molecular weight of 748.91 g/mol. Its IUPAC name is 9-[7-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name9-[7-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole
PubChem CID166962322
Molecular FormulaC51H32N4OS
Molecular Weight748.91 g/mol
Exact Mass748.23
IUPAC Name9-[7-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole
SMILESc1ccc(C2=NC(c3cccc4c3oc3c(-c5ccc6c(c5)sc5c(-n7c8ccccc8c8ccccc87)cccc56)cccc34)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C51H32N4OS/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)41-24-12-22-39-38-21-11-20-34(46(38)56-47(39)41)33-28-29-37-40-23-13-27-44(48(40)57-45(37)30-33)55-42-25-9-7-18-35(42)36-19-8-10-26-43(36)55/h1-30,51H,(H,52,53,54)
InChIKeyFTUHJKKPQNXURS-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-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole
CID 163906905
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)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 163775017
2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 142342927
4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
CID 170097785
9-[9-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 163472498
4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170192304
2-dibenzothiophen-4-yl-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]carbazole
CID 166736754
5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699662
9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278
4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 163577931
2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156575051

Frequently Asked Questions

What is the IUPAC name of 9-[7-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole?
The IUPAC name of 9-[7-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole (CID 166962322) is 9-[7-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 9-[7-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 9-[7-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole is c1ccc(C2=NC(c3cccc4c3oc3c(-c5ccc6c(c5)sc5c(-n7c8ccccc8c8ccccc87)cccc56)cccc34)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 9-[7-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole?
The InChIKey is FTUHJKKPQNXURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4OS/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)41-24-12-22-39-38-21-11-20-34(46(38)56-47(39)41)33-28-29-37-40-23-13-27-44(48(40)57-45(37)30-33)55-42-25-9-7-18-35(42)36-19-8-10-26-43(36)55/h1-30,51H,(H,52,53,54).
What are the key properties of 9-[7-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole?
9-[7-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-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-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 166962322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).