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

C91H71N7OS — CID 118634015

IUPAC9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyridin-2-ylphenyl)carbazol-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(-c8ccccn8)c7)cc6c6cc(-c7ccccn7)ccc65)cc4c3c2)cc2c1oc1c(C(C)C)cc(-n3c4ccc(-c5cccc(-c6ncccn6)c5)cc4c4cc(-c5ccccn5)ccc43)cc12
InChIInChI=1S/C91H71N7OS/c1-52(2)68-44-64(46-76-77-50-66(48-69(53(3)4)88(77)99-87(68)76)97-83-30-26-59(57-19-16-21-63(39-57)91-95-36-17-37-96-91)41-73(83)74-42-61(27-31-85(74)97)81-23-10-13-34-93-81)65-45-70(54(5)6)89-78(47-65)79-51-67(49-71(55(7)8)90(79)100-89)98-84-29-25-58(56-18-15-20-60(38-56)80-22-9-12-33-92-80)40-72(84)75-43-62(28-32-86(75)98)82-24-11-14-35-94-82/h9-55H,1-8H3
InChIKeyOLJVORBISBIPBX-UHFFFAOYSA-N
MW1310.68 g/mol
LogP25.29
Rot. Bonds13

About 9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyridin-2-ylphenyl)carbazol-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-pyridin-2-yl-6-(3-pyridin-2-ylphenyl)carbazol-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 118634015) has the molecular formula C91H71N7OS and a molecular weight of 1310.68 g/mol. Its IUPAC name is 9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyridin-2-ylphenyl)carbazol-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-pyridin-2-yl-6-(3-pyridin-2-ylphenyl)carbazol-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 CID118634015
Molecular FormulaC91H71N7OS
Molecular Weight1310.68 g/mol
Exact Mass1309.54
IUPAC Name9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyridin-2-ylphenyl)carbazol-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(-c8ccccn8)c7)cc6c6cc(-c7ccccn7)ccc65)cc4c3c2)cc2c1oc1c(C(C)C)cc(-n3c4ccc(-c5cccc(-c6ncccn6)c5)cc4c4cc(-c5ccccn5)ccc43)cc12
InChIInChI=1S/C91H71N7OS/c1-52(2)68-44-64(46-76-77-50-66(48-69(53(3)4)88(77)99-87(68)76)97-83-30-26-59(57-19-16-21-63(39-57)91-95-36-17-37-96-91)41-73(83)74-42-61(27-31-85(74)97)81-23-10-13-34-93-81)65-45-70(54(5)6)89-78(47-65)79-51-67(49-71(55(7)8)90(79)100-89)98-84-29-25-58(56-18-15-20-60(38-56)80-22-9-12-33-92-80)40-72(84)75-43-62(28-32-86(75)98)82-24-11-14-35-94-82/h9-55H,1-8H3
InChIKeyOLJVORBISBIPBX-UHFFFAOYSA-N
XLogP25.29
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001310.68
LogP ≤ 525.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyridin-2-ylphenyl)carbazol-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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Frequently Asked Questions

What is the IUPAC name of 9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyridin-2-ylphenyl)carbazol-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-pyridin-2-yl-6-(3-pyridin-2-ylphenyl)carbazol-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 118634015) is 9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyridin-2-ylphenyl)carbazol-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-pyridin-2-yl-6-(3-pyridin-2-ylphenyl)carbazol-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-pyridin-2-yl-6-(3-pyridin-2-ylphenyl)carbazol-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(-c8ccccn8)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-pyridin-2-yl-6-(3-pyridin-2-ylphenyl)carbazol-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 OLJVORBISBIPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H71N7OS/c1-52(2)68-44-64(46-76-77-50-66(48-69(53(3)4)88(77)99-87(68)76)97-83-30-26-59(57-19-16-21-63(39-57)91-95-36-17-37-96-91)41-73(83)74-42-61(27-31-85(74)97)81-23-10-13-34-93-81)65-45-70(54(5)6)89-78(47-65)79-51-67(49-71(55(7)8)90(79)100-89)98-84-29-25-58(56-18-15-20-60(38-56)80-22-9-12-33-92-80)40-72(84)75-43-62(28-32-86(75)98)82-24-11-14-35-94-82/h9-55H,1-8H3.
What are the key properties of 9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyridin-2-ylphenyl)carbazol-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-pyridin-2-yl-6-(3-pyridin-2-ylphenyl)carbazol-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 1310.68 g/mol, XLogP of 25.29, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyridin-2-ylphenyl)carbazol-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 118634015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).