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

C49H28N4OS — CID 142570657

IUPAC11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4c(-c5cccc6sc7ccccc7c56)cccc4c4ccc5ccccc5c43)n2)cc1
InChIInChI=1S/C49H28N4OS/c1-2-13-30(14-3-1)47-50-48(31-25-26-34-33-16-6-8-21-40(33)54-41(34)28-31)52-49(51-47)53-45-32-15-5-4-12-29(32)24-27-38(45)37-20-10-19-36(46(37)53)35-18-11-23-43-44(35)39-17-7-9-22-42(39)55-43/h1-28H
InChIKeyVRIASWOXVGSMTL-UHFFFAOYSA-N
MW720.86 g/mol
LogP13.39
Rot. Bonds4

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

11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole (PubChem CID 142570657) has the molecular formula C49H28N4OS and a molecular weight of 720.86 g/mol. Its IUPAC name is 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole.

Molecular Properties

Compound Name11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole
PubChem CID142570657
Molecular FormulaC49H28N4OS
Molecular Weight720.86 g/mol
Exact Mass720.20
IUPAC Name11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4c(-c5cccc6sc7ccccc7c56)cccc4c4ccc5ccccc5c43)n2)cc1
InChIInChI=1S/C49H28N4OS/c1-2-13-30(14-3-1)47-50-48(31-25-26-34-33-16-6-8-21-40(33)54-41(34)28-31)52-49(51-47)53-45-32-15-5-4-12-29(32)24-27-38(45)37-20-10-19-36(46(37)53)35-18-11-23-43-44(35)39-17-7-9-22-42(39)55-43/h1-28H
InChIKeyVRIASWOXVGSMTL-UHFFFAOYSA-N
XLogP13.39
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.86
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane
CID 142569658
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole
CID 142569486
11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole
CID 142572075
10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
CID 142569857
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
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane
CID 142571552
15-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-15-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 135166048
2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine
CID 162504545
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole
CID 142568311
2-(3-dibenzofuran-3-yl-5-dibenzothiophen-1-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163547459
21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-19-dibenzothiophen-3-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
CID 142570612
2-(8-dibenzofuran-3-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 169059388

Frequently Asked Questions

What is the IUPAC name of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole?
The IUPAC name of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole (CID 142570657) is 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole.
What is the SMILES notation for 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole?
The canonical SMILES for 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4c(-c5cccc6sc7ccccc7c56)cccc4c4ccc5ccccc5c43)n2)cc1.
What is the InChIKey of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole?
The InChIKey is VRIASWOXVGSMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4OS/c1-2-13-30(14-3-1)47-50-48(31-25-26-34-33-16-6-8-21-40(33)54-41(34)28-31)52-49(51-47)53-45-32-15-5-4-12-29(32)24-27-38(45)37-20-10-19-36(46(37)53)35-18-11-23-43-44(35)39-17-7-9-22-42(39)55-43/h1-28H.
What are the key properties of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole?
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole has a molecular weight of 720.86 g/mol, XLogP of 13.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole is sourced from PubChem (CID 142570657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).