1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-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)-9H-carbazole

C90H70N8OS — CID 118245946

IUPAC1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-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)-9H-carbazole
SMILESCC(C)c1cc(-c2cc(C(C)C)c3sc4c(C(C)C)cc(-n5c6ccc(-c7cccc(-c8ncccn8)c7)cc6c6cc(-c7ccccn7)ccc65)cc4c3c2)cc2c1oc1c(C(C)C)cc(-c3cc(-c4ccccn4)cc4c3[nH]c3ccc(-c5cccc(-c6ncccn6)c5)cc34)cc12
InChIInChI=1S/C90H70N8OS/c1-50(2)66-40-61(42-75-76-45-63(44-67(51(3)4)86(76)99-85(66)75)70-46-64(80-22-10-12-30-92-80)47-74-71-37-56(23-26-81(71)97-84(70)74)54-17-13-19-59(35-54)89-93-31-15-32-94-89)62-41-68(52(5)6)87-77(43-62)78-49-65(48-69(53(7)8)88(78)100-87)98-82-27-24-57(55-18-14-20-60(36-55)90-95-33-16-34-96-90)38-72(82)73-39-58(25-28-83(73)98)79-21-9-11-29-91-79/h9-53,97H,1-8H3
InChIKeyVTMZEIMQQMWVFW-UHFFFAOYSA-N
MW1311.67 g/mol
LogP24.89
Rot. Bonds13

About 1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-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)-9H-carbazole

1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-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)-9H-carbazole (PubChem CID 118245946) has the molecular formula C90H70N8OS and a molecular weight of 1311.67 g/mol. Its IUPAC name is 1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-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)-9H-carbazole.

Molecular Properties

Compound Name1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-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)-9H-carbazole
PubChem CID118245946
Molecular FormulaC90H70N8OS
Molecular Weight1311.67 g/mol
Exact Mass1310.54
IUPAC Name1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-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)-9H-carbazole
SMILESCC(C)c1cc(-c2cc(C(C)C)c3sc4c(C(C)C)cc(-n5c6ccc(-c7cccc(-c8ncccn8)c7)cc6c6cc(-c7ccccn7)ccc65)cc4c3c2)cc2c1oc1c(C(C)C)cc(-c3cc(-c4ccccn4)cc4c3[nH]c3ccc(-c5cccc(-c6ncccn6)c5)cc34)cc12
InChIInChI=1S/C90H70N8OS/c1-50(2)66-40-61(42-75-76-45-63(44-67(51(3)4)86(76)99-85(66)75)70-46-64(80-22-10-12-30-92-80)47-74-71-37-56(23-26-81(71)97-84(70)74)54-17-13-19-59(35-54)89-93-31-15-32-94-89)62-41-68(52(5)6)87-77(43-62)78-49-65(48-69(53(7)8)88(78)100-87)98-82-27-24-57(55-18-14-20-60(36-55)90-95-33-16-34-96-90)38-72(82)73-39-58(25-28-83(73)98)79-21-9-11-29-91-79/h9-53,97H,1-8H3
InChIKeyVTMZEIMQQMWVFW-UHFFFAOYSA-N
XLogP24.89
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001311.67
LogP ≤ 524.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-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)-9H-carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-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)-9H-carbazole?
The IUPAC name of 1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-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)-9H-carbazole (CID 118245946) is 1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-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)-9H-carbazole.
What is the SMILES notation for 1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-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)-9H-carbazole?
The canonical SMILES for 1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-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)-9H-carbazole is CC(C)c1cc(-c2cc(C(C)C)c3sc4c(C(C)C)cc(-n5c6ccc(-c7cccc(-c8ncccn8)c7)cc6c6cc(-c7ccccn7)ccc65)cc4c3c2)cc2c1oc1c(C(C)C)cc(-c3cc(-c4ccccn4)cc4c3[nH]c3ccc(-c5cccc(-c6ncccn6)c5)cc34)cc12.
What is the InChIKey of 1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-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)-9H-carbazole?
The InChIKey is VTMZEIMQQMWVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H70N8OS/c1-50(2)66-40-61(42-75-76-45-63(44-67(51(3)4)86(76)99-85(66)75)70-46-64(80-22-10-12-30-92-80)47-74-71-37-56(23-26-81(71)97-84(70)74)54-17-13-19-59(35-54)89-93-31-15-32-94-89)62-41-68(52(5)6)87-77(43-62)78-49-65(48-69(53(7)8)88(78)100-87)98-82-27-24-57(55-18-14-20-60(36-55)90-95-33-16-34-96-90)38-72(82)73-39-58(25-28-83(73)98)79-21-9-11-29-91-79/h9-53,97H,1-8H3.
What are the key properties of 1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-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)-9H-carbazole?
1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-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)-9H-carbazole has a molecular weight of 1311.67 g/mol, XLogP of 24.89, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-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)-9H-carbazole is sourced from PubChem (CID 118245946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).