6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C68H36N6O2S2 — CID 58099555

About 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 58099555) has the molecular formula C68H36N6O2S2 and a molecular weight of 1033.21 g/mol. Its IUPAC name is 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

• Compound Name: 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
• PubChem CID: 58099555
• Molecular Formula: C68H36N6O2S2
• Molecular Weight: 1033.21 g/mol
• Exact Mass: 1032.23
• IUPAC Name: 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
• SMILES: c1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cncc4c3sc3ccncc34)cc3c2oc2ccc(-c4cncc5c4sc4ccncc45)cc23)c2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
• InChI: InChI=1S/C68H36N6O2S2/c1-4-13-56-42(8-1)43-9-2-5-14-57(43)73(56)40-18-21-62-48(30-40)45-12-7-11-41(65(45)75-62)37-16-19-59-46(26-37)44-10-3-6-15-58(44)74(59)60-29-39(51-32-72-36-55-53-34-70-25-23-64(53)78-68(51)55)28-49-47-27-38(17-20-61(47)76-66(49)60)50-31-71-35-54-52-33-69-24-22-63(52)77-67(50)54/h1-36H
• InChIKey: POSNNMDGQAJUMO-UHFFFAOYSA-N
• XLogP: 19.00
• TPSA: 87.70 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1033.21
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?

The IUPAC name of 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 58099555) is 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

What is the SMILES notation for 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?

The canonical SMILES for 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is c1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cncc4c3sc3ccncc34)cc3c2oc2ccc(-c4cncc5c4sc4ccncc45)cc23)c2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.

What is the InChIKey of 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?

The InChIKey is POSNNMDGQAJUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H36N6O2S2/c1-4-13-56-42(8-1)43-9-2-5-14-57(43)73(56)40-18-21-62-48(30-40)45-12-7-11-41(65(45)75-62)37-16-19-59-46(26-37)44-10-3-6-15-58(44)74(59)60-29-39(51-32-72-36-55-53-34-70-25-23-64(53)78-68(51)55)28-49-47-27-38(17-20-61(47)76-66(49)60)50-31-71-35-54-52-33-69-24-22-63(52)77-67(50)54/h1-36H.

What are the key properties of 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?

6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 1033.21 g/mol, XLogP of 19.00, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 58099555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).