3-[(E)-2-[4-[7'-[4-[(E)-2-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)carbazol-3-yl]ethenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]-9-(9,9-dimethylfluoren-2-yl)carbazole

C91H68N2 — CID 89093973

About 3-[(E)-2-[4-[7'-[4-[(E)-2-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)carbazol-3-yl]ethenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]-9-(9,9-dimethylfluoren-2-yl)carbazole

3-[(E)-2-[4-[7'-[4-[(E)-2-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)carbazol-3-yl]ethenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]-9-(9,9-dimethylfluoren-2-yl)carbazole (PubChem CID 89093973) has the molecular formula C91H68N2 and a molecular weight of 1189.56 g/mol. Its IUPAC name is 3-[(E)-2-[4-[7'-[4-[(E)-2-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)carbazol-3-yl]ethenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]-9-(9,9-dimethylfluoren-2-yl)carbazole.

Molecular Properties

• Compound Name: 3-[(E)-2-[4-[7'-[4-[(E)-2-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)carbazol-3-yl]ethenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]-9-(9,9-dimethylfluoren-2-yl)carbazole
• PubChem CID: 89093973
• Molecular Formula: C91H68N2
• Molecular Weight: 1189.56 g/mol
• Exact Mass: 1188.54
• IUPAC Name: 3-[(E)-2-[4-[7'-[4-[(E)-2-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)carbazol-3-yl]ethenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]-9-(9,9-dimethylfluoren-2-yl)carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(/C=C/c5ccc(-c6ccc7c(c6)C6(CCc8ccccc86)c6cc(-c8ccc(/C=C/c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10c(c9)C(C)(C)C9C=CC=CC%109)cc8)ccc6-7)cc5)ccc43)cc21
• InChI: InChI=1S/C91H68N2/c1-89(2)79-21-11-6-16-68(79)70-45-41-66(55-81(70)89)92-85-23-13-8-18-74(85)76-51-59(33-47-87(76)92)27-25-57-29-35-61(36-30-57)64-39-43-72-73-44-40-65(54-84(73)91(83(72)53-64)50-49-63-15-5-10-20-78(63)91)62-37-31-58(32-38-62)26-28-60-34-48-88-77(52-60)75-19-9-14-24-86(75)93(88)67-42-46-71-69-17-7-12-22-80(69)90(3,4)82(71)56-67/h5-48,51-56,68,79H,49-50H2,1-4H3/b27-25+,28-26+
• InChIKey: CIJTXMWIHXBREE-NBHCHVEOSA-N
• XLogP: 23.24
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1189.56
LogP ≤ 5	23.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[4-[7'-[4-[(E)-2-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)carbazol-3-yl]ethenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]-9-(9,9-dimethylfluoren-2-yl)carbazole?

The IUPAC name of 3-[(E)-2-[4-[7'-[4-[(E)-2-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)carbazol-3-yl]ethenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]-9-(9,9-dimethylfluoren-2-yl)carbazole (CID 89093973) is 3-[(E)-2-[4-[7'-[4-[(E)-2-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)carbazol-3-yl]ethenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]-9-(9,9-dimethylfluoren-2-yl)carbazole.

What is the SMILES notation for 3-[(E)-2-[4-[7'-[4-[(E)-2-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)carbazol-3-yl]ethenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]-9-(9,9-dimethylfluoren-2-yl)carbazole?

The canonical SMILES for 3-[(E)-2-[4-[7'-[4-[(E)-2-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)carbazol-3-yl]ethenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]-9-(9,9-dimethylfluoren-2-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(/C=C/c5ccc(-c6ccc7c(c6)C6(CCc8ccccc86)c6cc(-c8ccc(/C=C/c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10c(c9)C(C)(C)C9C=CC=CC%109)cc8)ccc6-7)cc5)ccc43)cc21.

What is the InChIKey of 3-[(E)-2-[4-[7'-[4-[(E)-2-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)carbazol-3-yl]ethenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]-9-(9,9-dimethylfluoren-2-yl)carbazole?

The InChIKey is CIJTXMWIHXBREE-NBHCHVEOSA-N. The full InChI is InChI=1S/C91H68N2/c1-89(2)79-21-11-6-16-68(79)70-45-41-66(55-81(70)89)92-85-23-13-8-18-74(85)76-51-59(33-47-87(76)92)27-25-57-29-35-61(36-30-57)64-39-43-72-73-44-40-65(54-84(73)91(83(72)53-64)50-49-63-15-5-10-20-78(63)91)62-37-31-58(32-38-62)26-28-60-34-48-88-77(52-60)75-19-9-14-24-86(75)93(88)67-42-46-71-69-17-7-12-22-80(69)90(3,4)82(71)56-67/h5-48,51-56,68,79H,49-50H2,1-4H3/b27-25+,28-26+.

What are the key properties of 3-[(E)-2-[4-[7'-[4-[(E)-2-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)carbazol-3-yl]ethenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]-9-(9,9-dimethylfluoren-2-yl)carbazole?

3-[(E)-2-[4-[7'-[4-[(E)-2-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)carbazol-3-yl]ethenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]-9-(9,9-dimethylfluoren-2-yl)carbazole has a molecular weight of 1189.56 g/mol, XLogP of 23.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(E)-2-[4-[7'-[4-[(E)-2-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)carbazol-3-yl]ethenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]-9-(9,9-dimethylfluoren-2-yl)carbazole is sourced from PubChem (CID 89093973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).