3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole

C85H75N7 — CID 167005264

IUPAC3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)nc2)c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C85H75N7/c1-82(2,3)57-34-41-68-63(47-57)64-48-58(83(4,5)6)35-42-69(64)91(68)72-45-38-61(78-80(72)89-76(54-29-21-15-22-30-54)74(87-78)52-25-17-13-18-26-52)56-33-40-67(86-51-56)62-39-46-73(81-79(62)88-75(53-27-19-14-20-28-53)77(90-81)55-31-23-16-24-32-55)92-70-43-36-59(84(7,8)9)49-65(70)66-50-60(85(10,11)12)37-44-71(66)92/h13-51H,1-12H3
InChIKeyXXNRDBQSYKGQEV-UHFFFAOYSA-N
MW1194.58 g/mol
LogP22.35
Rot. Bonds8

About 3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole

3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole (PubChem CID 167005264) has the molecular formula C85H75N7 and a molecular weight of 1194.58 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole
PubChem CID167005264
Molecular FormulaC85H75N7
Molecular Weight1194.58 g/mol
Exact Mass1193.61
IUPAC Name3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)nc2)c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C85H75N7/c1-82(2,3)57-34-41-68-63(47-57)64-48-58(83(4,5)6)35-42-69(64)91(68)72-45-38-61(78-80(72)89-76(54-29-21-15-22-30-54)74(87-78)52-25-17-13-18-26-52)56-33-40-67(86-51-56)62-39-46-73(81-79(62)88-75(53-27-19-14-20-28-53)77(90-81)55-31-23-16-24-32-55)92-70-43-36-59(84(7,8)9)49-65(70)66-50-60(85(10,11)12)37-44-71(66)92/h13-51H,1-12H3
InChIKeyXXNRDBQSYKGQEV-UHFFFAOYSA-N
XLogP22.35
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001194.58
LogP ≤ 522.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole with MolForge

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Related Compounds

1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine
CID 140917926
3-tert-butyl-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155463309
3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 170672621
3,6-ditert-butyl-9-[3-[2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazole
CID 137385082
3-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(3,6-ditert-butylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 138515731
8-[2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,12-ditert-butyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 135131119
3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146654325
3,6-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole
CID 142555883
2-tert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-tert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2,7-ditert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-ditert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158906827
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]carbazole
CID 138549530
3,6-ditert-butyl-9-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]carbazole
CID 146653896
3,6-ditert-butyl-9-[4-(2,6-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 153459784

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole (CID 167005264) is 3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)nc2)c2nc(-c3ccccc3)c(-c3ccccc3)nc12.
What is the InChIKey of 3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole?
The InChIKey is XXNRDBQSYKGQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H75N7/c1-82(2,3)57-34-41-68-63(47-57)64-48-58(83(4,5)6)35-42-69(64)91(68)72-45-38-61(78-80(72)89-76(54-29-21-15-22-30-54)74(87-78)52-25-17-13-18-26-52)56-33-40-67(86-51-56)62-39-46-73(81-79(62)88-75(53-27-19-14-20-28-53)77(90-81)55-31-23-16-24-32-55)92-70-43-36-59(84(7,8)9)49-65(70)66-50-60(85(10,11)12)37-44-71(66)92/h13-51H,1-12H3.
What are the key properties of 3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole?
3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole has a molecular weight of 1194.58 g/mol, XLogP of 22.35, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole is sourced from PubChem (CID 167005264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).