9-(9,9-dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole

C87H58N2S2 — CID 59236571

IUPAC9-(9,9-dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6cc(-c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)s8)ccc6-7)s5)ccc43)cc21
InChIInChI=1S/C87H58N2S2/c1-85(2)69-23-11-5-17-57(69)61-37-33-55(49-73(61)85)88-77-27-15-9-21-65(77)67-45-51(31-39-79(67)88)81-41-43-83(90-81)53-29-35-63-64-36-30-54(48-76(64)87(75(63)47-53)71-25-13-7-19-59(71)60-20-8-14-26-72(60)87)84-44-42-82(91-84)52-32-40-80-68(46-52)66-22-10-16-28-78(66)89(80)56-34-38-62-58-18-6-12-24-70(58)86(3,4)74(62)50-56/h5-50H,1-4H3
InChIKeyKYBZHOCZDSGNSV-UHFFFAOYSA-N
MW1195.57 g/mol
LogP23.63
Rot. Bonds6

About 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole

9-(9,9-dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole (PubChem CID 59236571) has the molecular formula C87H58N2S2 and a molecular weight of 1195.57 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole
PubChem CID59236571
Molecular FormulaC87H58N2S2
Molecular Weight1195.57 g/mol
Exact Mass1194.40
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6cc(-c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)s8)ccc6-7)s5)ccc43)cc21
InChIInChI=1S/C87H58N2S2/c1-85(2)69-23-11-5-17-57(69)61-37-33-55(49-73(61)85)88-77-27-15-9-21-65(77)67-45-51(31-39-79(67)88)81-41-43-83(90-81)53-29-35-63-64-36-30-54(48-76(64)87(75(63)47-53)71-25-13-7-19-59(71)60-20-8-14-26-72(60)87)84-44-42-82(91-84)52-32-40-80-68(46-52)66-22-10-16-28-78(66)89(80)56-34-38-62-58-18-6-12-24-70(58)86(3,4)74(62)50-56/h5-50H,1-4H3
InChIKeyKYBZHOCZDSGNSV-UHFFFAOYSA-N
XLogP23.63
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001195.57
LogP ≤ 523.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole (CID 59236571) is 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6cc(-c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)s8)ccc6-7)s5)ccc43)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole?
The InChIKey is KYBZHOCZDSGNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H58N2S2/c1-85(2)69-23-11-5-17-57(69)61-37-33-55(49-73(61)85)88-77-27-15-9-21-65(77)67-45-51(31-39-79(67)88)81-41-43-83(90-81)53-29-35-63-64-36-30-54(48-76(64)87(75(63)47-53)71-25-13-7-19-59(71)60-20-8-14-26-72(60)87)84-44-42-82(91-84)52-32-40-80-68(46-52)66-22-10-16-28-78(66)89(80)56-34-38-62-58-18-6-12-24-70(58)86(3,4)74(62)50-56/h5-50H,1-4H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole?
9-(9,9-dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole has a molecular weight of 1195.57 g/mol, XLogP of 23.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole is sourced from PubChem (CID 59236571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).