11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane

C58H40N4OS — CID 142569658

IUPAC11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane
SMILESCCC.c1ccc(-c2nc(-c3cccc(-n4c5c(-c6cccc7sc8ccccc8c67)cccc5c5ccc6ccccc6c54)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C55H32N4OS.C3H8/c1-2-14-34(15-3-1)53-56-54(58-55(57-53)36-28-29-40-39-19-6-8-24-46(39)60-47(40)32-36)35-16-10-17-37(31-35)59-51-38-18-5-4-13-33(38)27-30-44(51)43-23-11-22-42(52(43)59)41-21-12-26-49-50(41)45-20-7-9-25-48(45)61-49;1-3-2/h1-32H;3H2,1-2H3
InChIKeyIEYSRUAGCMYLSB-UHFFFAOYSA-N
MW841.05 g/mol
LogP16.47
Rot. Bonds5

About 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane

11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane (PubChem CID 142569658) has the molecular formula C58H40N4OS and a molecular weight of 841.05 g/mol. Its IUPAC name is 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane.

Molecular Properties

Compound Name11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane
PubChem CID142569658
Molecular FormulaC58H40N4OS
Molecular Weight841.05 g/mol
Exact Mass840.29
IUPAC Name11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane
SMILESCCC.c1ccc(-c2nc(-c3cccc(-n4c5c(-c6cccc7sc8ccccc8c67)cccc5c5ccc6ccccc6c54)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C55H32N4OS.C3H8/c1-2-14-34(15-3-1)53-56-54(58-55(57-53)36-28-29-40-39-19-6-8-24-46(39)60-47(40)32-36)35-16-10-17-37(31-35)59-51-38-18-5-4-13-33(38)27-30-44(51)43-23-11-22-42(52(43)59)41-21-12-26-49-50(41)45-20-7-9-25-48(45)61-49;1-3-2/h1-32H;3H2,1-2H3
InChIKeyIEYSRUAGCMYLSB-UHFFFAOYSA-N
XLogP16.47
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.05
LogP ≤ 516.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane with MolForge

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Related Compounds

11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole
CID 142570657
11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole
CID 142571652
21-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-19-dibenzothiophen-2-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane
CID 142570169
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole
CID 142569486
12-[11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155382661
11-[3-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 166915375
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole
CID 142568311
4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane
CID 142570608
2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine
CID 162504545
3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 158680520
2-(3-dibenzofuran-3-yl-5-dibenzothiophen-1-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163547459
1-dibenzothiophen-1-yl-9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705068

Frequently Asked Questions

What is the IUPAC name of 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane?
The IUPAC name of 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane (CID 142569658) is 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane.
What is the SMILES notation for 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane?
The canonical SMILES for 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane is CCC.c1ccc(-c2nc(-c3cccc(-n4c5c(-c6cccc7sc8ccccc8c67)cccc5c5ccc6ccccc6c54)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane?
The InChIKey is IEYSRUAGCMYLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4OS.C3H8/c1-2-14-34(15-3-1)53-56-54(58-55(57-53)36-28-29-40-39-19-6-8-24-46(39)60-47(40)32-36)35-16-10-17-37(31-35)59-51-38-18-5-4-13-33(38)27-30-44(51)43-23-11-22-42(52(43)59)41-21-12-26-49-50(41)45-20-7-9-25-48(45)61-49;1-3-2/h1-32H;3H2,1-2H3.
What are the key properties of 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane?
11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane has a molecular weight of 841.05 g/mol, XLogP of 16.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane is sourced from PubChem (CID 142569658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).