6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)-1,2-dihydrocarbazol-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

C68H38N6O2S2 — CID 87766443

IUPAC6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)-1,2-dihydrocarbazol-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
SMILESC1=C(c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)CCc2c1c1ccccc1n2-c1cc(-c2cncc3c2sc2ccncc23)cc2c1oc1ccc(-c3cncc4c3sc3ccncc34)cc12
InChIInChI=1S/C68H38N6O2S2/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/h1-15,17-18,20-36H,16,19H2
InChIKeyFHJUEBJKXIVCIH-UHFFFAOYSA-N
MW1035.23 g/mol
LogP18.66
Rot. Bonds5

About 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)-1,2-dihydrocarbazol-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)-1,2-dihydrocarbazol-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 87766443) has the molecular formula C68H38N6O2S2 and a molecular weight of 1035.23 g/mol. Its IUPAC name is 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)-1,2-dihydrocarbazol-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 Name6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)-1,2-dihydrocarbazol-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 CID87766443
Molecular FormulaC68H38N6O2S2
Molecular Weight1035.23 g/mol
Exact Mass1034.25
IUPAC Name6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)-1,2-dihydrocarbazol-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
SMILESC1=C(c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)CCc2c1c1ccccc1n2-c1cc(-c2cncc3c2sc2ccncc23)cc2c1oc1ccc(-c3cncc4c3sc3ccncc34)cc12
InChIInChI=1S/C68H38N6O2S2/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/h1-15,17-18,20-36H,16,19H2
InChIKeyFHJUEBJKXIVCIH-UHFFFAOYSA-N
XLogP18.66
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.23
LogP ≤ 518.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)-1,2-dihydrocarbazol-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 with MolForge

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Related Compounds

3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole
CID 69285159
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]carbazole
CID 169011262
9-[8-carbazol-9-yl-2-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-4-yl]-3-dibenzofuran-4-ylcarbazole;3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole;9-(8-carbazol-9-yldibenzofuran-4-yl)-3-dibenzofuran-2-ylcarbazole;9-(8-carbazol-9-yldibenzofuran-4-yl)-3-dibenzofuran-4-ylcarbazole
CID 160860394
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 169011085
6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine
CID 59413694
9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole
CID 146532883
bis(9-[2-carbazol-9-yl-8-(6-carbazol-9-yl-2-pyridinyl)dibenzofuran-4-yl]carbazole);9-[5-(6-carbazol-9-yldibenzofuran-4-yl)-3-pyridinyl]carbazole;9-[5-(8-carbazol-9-yldibenzofuran-4-yl)-3-pyridinyl]carbazole;9-[6-(6-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]carbazole;9-[6-(6-carbazol-9-yldibenzothiophen-4-yl)-2-pyridinyl]carbazole;9-[6-(6-carbazol-9-yl-2,8-diphenyldibenzofuran-4-yl)-2-pyridinyl]carbazole;5-[6-(5-carbazol-9-yl-3-pyridinyl)dibenzofuran-2-yl]pyrido[4,3-b]indole
CID 158768083
5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 146533502
6-[6-[11-[6-(8-pyrimido[4,5-b]indol-9-yl-[1]benzothiolo[3,2-c]pyridin-4-yl)-[1]benzofuro[2,3-c]pyridin-3-yl]-3,6,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-yl]-[1]benzothiolo[2,3-b]pyridin-3-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 142292568
3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole
CID 162014946
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole
CID 169011618
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 169011470

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)-1,2-dihydrocarbazol-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)-1,2-dihydrocarbazol-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 87766443) is 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)-1,2-dihydrocarbazol-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)-1,2-dihydrocarbazol-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)-1,2-dihydrocarbazol-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 C1=C(c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)CCc2c1c1ccccc1n2-c1cc(-c2cncc3c2sc2ccncc23)cc2c1oc1ccc(-c3cncc4c3sc3ccncc34)cc12.
What is the InChIKey of 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)-1,2-dihydrocarbazol-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 FHJUEBJKXIVCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H38N6O2S2/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/h1-15,17-18,20-36H,16,19H2.
What are the key properties of 6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)-1,2-dihydrocarbazol-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)-1,2-dihydrocarbazol-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 1035.23 g/mol, XLogP of 18.66, 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)-1,2-dihydrocarbazol-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 87766443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).