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

C51H36N4OS — CID 166962970

IUPAC9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2cccc3c2sc2cc(-c4cccc5c4oc4cc(C6N=C(c7ccccc7)NC(c7ccccc7)N6)ccc45)ccc23)CC1
InChIInChI=1S/C51H36N4OS/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)34-26-27-38-40-20-11-19-35(47(40)56-45(38)29-34)33-25-28-39-41-21-12-24-44(48(41)57-46(39)30-33)55-42-22-9-7-17-36(42)37-18-8-10-23-43(37)55/h1-7,9-17,19-30,49,51,53H,8,18H2,(H,52,54)
InChIKeyQOGMKPRKMVWNQQ-UHFFFAOYSA-N
MW752.94 g/mol
LogP12.86
Rot. Bonds5

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

9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole (PubChem CID 166962970) has the molecular formula C51H36N4OS and a molecular weight of 752.94 g/mol. Its IUPAC name is 9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole
PubChem CID166962970
Molecular FormulaC51H36N4OS
Molecular Weight752.94 g/mol
Exact Mass752.26
IUPAC Name9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2cccc3c2sc2cc(-c4cccc5c4oc4cc(C6N=C(c7ccccc7)NC(c7ccccc7)N6)ccc45)ccc23)CC1
InChIInChI=1S/C51H36N4OS/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)34-26-27-38-40-20-11-19-35(47(40)56-45(38)29-34)33-25-28-39-41-21-12-24-44(48(41)57-46(39)30-33)55-42-22-9-7-17-36(42)37-18-8-10-23-43(37)55/h1-7,9-17,19-30,49,51,53H,8,18H2,(H,52,54)
InChIKeyQOGMKPRKMVWNQQ-UHFFFAOYSA-N
XLogP12.86
TPSA54.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.94
LogP ≤ 512.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
9-[9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole
CID 166962411
3-dibenzofuran-4-yl-9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 145077505
4-dibenzofuran-3-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163881109
9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole
CID 163525091
9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole
CID 170278418
9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole
CID 166962458
2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146544048
2-dibenzofuran-4-yl-6-(7-dibenzofuran-4-yldibenzothiophen-2-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 149480097
9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole
CID 163636411
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-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole
CID 166962322

Frequently Asked Questions

What is the IUPAC name of 9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole?
The IUPAC name of 9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole (CID 166962970) is 9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole.
What is the SMILES notation for 9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole?
The canonical SMILES for 9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole is C1=Cc2c(c3ccccc3n2-c2cccc3c2sc2cc(-c4cccc5c4oc4cc(C6N=C(c7ccccc7)NC(c7ccccc7)N6)ccc45)ccc23)CC1.
What is the InChIKey of 9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole?
The InChIKey is QOGMKPRKMVWNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4OS/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)34-26-27-38-40-20-11-19-35(47(40)56-45(38)29-34)33-25-28-39-41-21-12-24-44(48(41)57-46(39)30-33)55-42-22-9-7-17-36(42)37-18-8-10-23-43(37)55/h1-7,9-17,19-30,49,51,53H,8,18H2,(H,52,54).
What are the key properties of 9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole?
9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole has a molecular weight of 752.94 g/mol, XLogP of 12.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole is sourced from PubChem (CID 166962970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).