4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C48H28N6OS — CID 134399103

IUPAC4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2ccc3sc4c(-c5cccc(-c6cc(-c7ccccc7-c7ccccn7)cc7c6oc6ccccc67)n5)cc(-c5ccccn5)nc4c3n2)nc1
InChIInChI=1S/C48H28N6OS/c1-2-13-31(36-15-5-8-23-49-36)30(12-1)29-26-33-32-14-3-4-20-43(32)55-47(33)34(27-29)37-18-11-19-38(52-37)35-28-42(40-17-7-10-25-51-40)54-46-45-44(56-48(35)46)22-21-41(53-45)39-16-6-9-24-50-39/h1-28H
InChIKeyYAXQCEGBFNEJIF-UHFFFAOYSA-N
MW736.86 g/mol
LogP12.33
Rot. Bonds6

About 4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 134399103) has the molecular formula C48H28N6OS and a molecular weight of 736.86 g/mol. Its IUPAC name is 4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID134399103
Molecular FormulaC48H28N6OS
Molecular Weight736.86 g/mol
Exact Mass736.20
IUPAC Name4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2ccc3sc4c(-c5cccc(-c6cc(-c7ccccc7-c7ccccn7)cc7c6oc6ccccc67)n5)cc(-c5ccccn5)nc4c3n2)nc1
InChIInChI=1S/C48H28N6OS/c1-2-13-31(36-15-5-8-23-49-36)30(12-1)29-26-33-32-14-3-4-20-43(32)55-47(33)34(27-29)37-18-11-19-38(52-37)35-28-42(40-17-7-10-25-51-40)54-46-45-44(56-48(35)46)22-21-41(53-45)39-16-6-9-24-50-39/h1-28H
InChIKeyYAXQCEGBFNEJIF-UHFFFAOYSA-N
XLogP12.33
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.86
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
CID 90049857
2-dibenzofuran-4-ylpyridine
CID 59500175
5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline
CID 90050350
1-(6-dibenzofuran-4-yl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
CID 140902322
5-dibenzofuran-4-yl-3-methyl-2-phenylthieno[3,2-b]pyridine
CID 155628654
2-(2-propan-2-yldibenzofuran-4-yl)pyridine
CID 156686806
1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934498
4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyrimidine
CID 155078239
4-pyridin-2-ylxanthen-9-one
CID 167260109
2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine
CID 168829634
4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155078082
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958

Frequently Asked Questions

What is the IUPAC name of 4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 134399103) is 4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-c2ccc3sc4c(-c5cccc(-c6cc(-c7ccccc7-c7ccccn7)cc7c6oc6ccccc67)n5)cc(-c5ccccn5)nc4c3n2)nc1.
What is the InChIKey of 4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is YAXQCEGBFNEJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N6OS/c1-2-13-31(36-15-5-8-23-49-36)30(12-1)29-26-33-32-14-3-4-20-43(32)55-47(33)34(27-29)37-18-11-19-38(52-37)35-28-42(40-17-7-10-25-51-40)54-46-45-44(56-48(35)46)22-21-41(53-45)39-16-6-9-24-50-39/h1-28H.
What are the key properties of 4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 736.86 g/mol, XLogP of 12.33, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-dipyridin-2-yl-6-[6-[2-(2-pyridin-2-ylphenyl)dibenzofuran-4-yl]-2-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 134399103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).