3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole

C91H64N2S2 — CID 89093847

IUPAC3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(/C=C/c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6cc(/C=C/c8ccc(-c9ccc%10c(c9)c9ccccc9n%10C9=CC%10C(C=C9)c9ccccc9C%10(C)C)s8)ccc6-7)s5)ccc43)cc21
InChIInChI=1S/C91H64N2S2/c1-89(2)75-23-11-5-17-63(75)67-43-35-59(53-79(67)89)92-83-27-15-9-21-71(83)73-51-57(33-45-85(73)92)87-47-39-61(94-87)37-29-55-31-41-69-70-42-32-56(50-82(70)91(81(69)49-55)77-25-13-7-19-65(77)66-20-8-14-26-78(66)91)30-38-62-40-48-88(95-62)58-34-46-86-74(52-58)72-22-10-16-28-84(72)93(86)60-36-44-68-64-18-6-12-24-76(64)90(3,4)80(68)54-60/h5-54,67,79H,1-4H3/b37-29+,38-30+
InChIKeyOLYUMUGTOUXLNZ-UDEUAJILSA-N
MW1249.66 g/mol
LogP24.44
Rot. Bonds8

About 3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole

3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole (PubChem CID 89093847) has the molecular formula C91H64N2S2 and a molecular weight of 1249.66 g/mol. Its IUPAC name is 3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole.

Molecular Properties

Compound Name3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole
PubChem CID89093847
Molecular FormulaC91H64N2S2
Molecular Weight1249.66 g/mol
Exact Mass1248.45
IUPAC Name3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(/C=C/c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6cc(/C=C/c8ccc(-c9ccc%10c(c9)c9ccccc9n%10C9=CC%10C(C=C9)c9ccccc9C%10(C)C)s8)ccc6-7)s5)ccc43)cc21
InChIInChI=1S/C91H64N2S2/c1-89(2)75-23-11-5-17-63(75)67-43-35-59(53-79(67)89)92-83-27-15-9-21-71(83)73-51-57(33-45-85(73)92)87-47-39-61(94-87)37-29-55-31-41-69-70-42-32-56(50-82(70)91(81(69)49-55)77-25-13-7-19-65(77)66-20-8-14-26-78(66)91)30-38-62-40-48-88(95-62)58-34-46-86-74(52-58)72-22-10-16-28-84(72)93(86)60-36-44-68-64-18-6-12-24-76(64)90(3,4)80(68)54-60/h5-54,67,79H,1-4H3/b37-29+,38-30+
InChIKeyOLYUMUGTOUXLNZ-UDEUAJILSA-N
XLogP24.44
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001249.66
LogP ≤ 524.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole?
The IUPAC name of 3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole (CID 89093847) is 3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole.
What is the SMILES notation for 3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole?
The canonical SMILES for 3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(/C=C/c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6cc(/C=C/c8ccc(-c9ccc%10c(c9)c9ccccc9n%10C9=CC%10C(C=C9)c9ccccc9C%10(C)C)s8)ccc6-7)s5)ccc43)cc21.
What is the InChIKey of 3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole?
The InChIKey is OLYUMUGTOUXLNZ-UDEUAJILSA-N. The full InChI is InChI=1S/C91H64N2S2/c1-89(2)75-23-11-5-17-63(75)67-43-35-59(53-79(67)89)92-83-27-15-9-21-71(83)73-51-57(33-45-85(73)92)87-47-39-61(94-87)37-29-55-31-41-69-70-42-32-56(50-82(70)91(81(69)49-55)77-25-13-7-19-65(77)66-20-8-14-26-78(66)91)30-38-62-40-48-88(95-62)58-34-46-86-74(52-58)72-22-10-16-28-84(72)93(86)60-36-44-68-64-18-6-12-24-76(64)90(3,4)80(68)54-60/h5-54,67,79H,1-4H3/b37-29+,38-30+.
What are the key properties of 3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole?
3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole has a molecular weight of 1249.66 g/mol, XLogP of 24.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole is sourced from PubChem (CID 89093847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).