9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole

C90H70N8OS — CID 118055425

IUPAC9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
SMILESCC(C)c1cc(-c2cc(C(C)C)c3sc4c(C(C)C)cc(-n5c6ccc(-c7cccc(-c8cnccn8)c7)cc6c6cc(-c7ccccn7)ccc65)cc4c3c2)cc2c1oc1c(C(C)C)cc(-n3c4ccc(-c5cccc(-c6ncccn6)c5)cc4c4cc(-c5ccccn5)ccc43)cc12
InChIInChI=1S/C90H70N8OS/c1-51(2)67-42-63(44-75-76-48-65(46-68(52(3)4)87(76)99-86(67)75)97-82-27-23-58(56-17-14-19-62(37-56)90-95-32-15-33-96-90)39-72(82)73-40-60(24-28-84(73)97)79-20-9-11-30-92-79)64-43-69(53(5)6)88-77(45-64)78-49-66(47-70(54(7)8)89(78)100-88)98-83-26-22-57(55-16-13-18-59(36-55)81-50-91-34-35-94-81)38-71(83)74-41-61(25-29-85(74)98)80-21-10-12-31-93-80/h9-54H,1-8H3
InChIKeyOQIRVHBXMKVOPR-UHFFFAOYSA-N
MW1311.67 g/mol
LogP24.68
Rot. Bonds13

About 9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole

9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole (PubChem CID 118055425) has the molecular formula C90H70N8OS and a molecular weight of 1311.67 g/mol. Its IUPAC name is 9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
PubChem CID118055425
Molecular FormulaC90H70N8OS
Molecular Weight1311.67 g/mol
Exact Mass1310.54
IUPAC Name9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
SMILESCC(C)c1cc(-c2cc(C(C)C)c3sc4c(C(C)C)cc(-n5c6ccc(-c7cccc(-c8cnccn8)c7)cc6c6cc(-c7ccccn7)ccc65)cc4c3c2)cc2c1oc1c(C(C)C)cc(-n3c4ccc(-c5cccc(-c6ncccn6)c5)cc4c4cc(-c5ccccn5)ccc43)cc12
InChIInChI=1S/C90H70N8OS/c1-51(2)67-42-63(44-75-76-48-65(46-68(52(3)4)87(76)99-86(67)75)97-82-27-23-58(56-17-14-19-62(37-56)90-95-32-15-33-96-90)39-72(82)73-40-60(24-28-84(73)97)79-20-9-11-30-92-79)64-43-69(53(5)6)88-77(45-64)78-49-66(47-70(54(7)8)89(78)100-88)98-83-26-22-57(55-16-13-18-59(36-55)81-50-91-34-35-94-81)38-71(83)74-41-61(25-29-85(74)98)80-21-10-12-31-93-80/h9-54H,1-8H3
InChIKeyOQIRVHBXMKVOPR-UHFFFAOYSA-N
XLogP24.68
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001311.67
LogP ≤ 524.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole with MolForge

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Related Compounds

9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole
CID 163813284
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane
CID 144541414
1-[2-[[2,6-bis(4,5-dimethylimidazol-1-yl)phenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]-3-[2-[[2-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-ylphenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]propane-1,3-dione;9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole
CID 157132649
3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 71278025
3-[3-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209024
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole;9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole;9-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)carbazole;2-(3-dibenzofuran-2-ylphenyl)-6-phenylpyridine;2-(3-dibenzofuran-2-ylphenyl)pyridine;9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole;3-(8-pyridin-3-yldibenzofuran-2-yl)pyridine;2-[3-(8-thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine
CID 159643684
9-phenyl-2-pyridin-2-yl-6-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 140814524
6-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-c]pyridine
CID 163786053
5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole
CID 130417472
9-[2-tert-butyl-4,6-di(carbazol-9-yl)-3-(3,6-dipyridin-2-ylcarbazol-9-yl)-5-fluorophenyl]-3,6-dipyridin-2-ylcarbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-fluoro-6-propan-2-ylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[2,4-di(carbazol-9-yl)-5-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]-3-fluoro-6-propan-2-ylphenyl]-3,6-di(pyrimidin-5-yl)carbazole
CID 161411646

Frequently Asked Questions

What is the IUPAC name of 9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole?
The IUPAC name of 9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole (CID 118055425) is 9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole.
What is the SMILES notation for 9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole?
The canonical SMILES for 9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole is CC(C)c1cc(-c2cc(C(C)C)c3sc4c(C(C)C)cc(-n5c6ccc(-c7cccc(-c8cnccn8)c7)cc6c6cc(-c7ccccn7)ccc65)cc4c3c2)cc2c1oc1c(C(C)C)cc(-n3c4ccc(-c5cccc(-c6ncccn6)c5)cc4c4cc(-c5ccccn5)ccc43)cc12.
What is the InChIKey of 9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole?
The InChIKey is OQIRVHBXMKVOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H70N8OS/c1-51(2)67-42-63(44-75-76-48-65(46-68(52(3)4)87(76)99-86(67)75)97-82-27-23-58(56-17-14-19-62(37-56)90-95-32-15-33-96-90)39-72(82)73-40-60(24-28-84(73)97)79-20-9-11-30-92-79)64-43-69(53(5)6)88-77(45-64)78-49-66(47-70(54(7)8)89(78)100-88)98-83-26-22-57(55-16-13-18-59(36-55)81-50-91-34-35-94-81)38-71(83)74-41-61(25-29-85(74)98)80-21-10-12-31-93-80/h9-54H,1-8H3.
What are the key properties of 9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole?
9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole has a molecular weight of 1311.67 g/mol, XLogP of 24.68, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole is sourced from PubChem (CID 118055425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).