7-[(E)-2-[7'-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(9-methylidenefluoren-2-yl)fluoren-2-amine

C118H90N2 — CID 89087903

About 7-[(E)-2-[7'-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(9-methylidenefluoren-2-yl)fluoren-2-amine

7-[(E)-2-[7'-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(9-methylidenefluoren-2-yl)fluoren-2-amine (PubChem CID 89087903) has the molecular formula C118H90N2 and a molecular weight of 1536.03 g/mol. Its IUPAC name is 7-[(E)-2-[7'-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(9-methylidenefluoren-2-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: 7-[(E)-2-[7'-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(9-methylidenefluoren-2-yl)fluoren-2-amine
• PubChem CID: 89087903
• Molecular Formula: C118H90N2
• Molecular Weight: 1536.03 g/mol
• Exact Mass: 1534.71
• IUPAC Name: 7-[(E)-2-[7'-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(9-methylidenefluoren-2-yl)fluoren-2-amine
• SMILES: C=C1c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(/C=C/c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(/C=C/c7ccc8c(c7)C(C)(C)c7cc(N(c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7-8)ccc5-6)ccc3-4)cc21
• InChI: InChI=1S/C118H90N2/c1-70-81-24-12-13-25-82(81)83-54-44-75(64-98(70)83)119(76-45-55-91-84-26-14-19-31-99(84)113(2,3)106(91)65-76)77-48-58-94-89-50-40-71(60-104(89)116(8,9)109(94)68-77)36-38-73-42-52-96-97-53-43-74(63-112(97)118(111(96)62-73)102-34-22-17-29-87(102)88-30-18-23-35-103(88)118)39-37-72-41-51-90-95-59-49-80(69-110(95)117(10,11)105(90)61-72)120(78-46-56-92-85-27-15-20-32-100(85)114(4,5)107(92)66-78)79-47-57-93-86-28-16-21-33-101(86)115(6,7)108(93)67-79/h12-69H,1H2,2-11H3/b38-36+,39-37+
• InChIKey: MCZSPWSRJPYVNI-NFSGFYSESA-N
• XLogP: 30.88
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1536.03
LogP ≤ 5	30.88
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 7-[(E)-2-[7'-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(9-methylidenefluoren-2-yl)fluoren-2-amine?

The IUPAC name of 7-[(E)-2-[7'-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(9-methylidenefluoren-2-yl)fluoren-2-amine (CID 89087903) is 7-[(E)-2-[7'-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(9-methylidenefluoren-2-yl)fluoren-2-amine.

What is the SMILES notation for 7-[(E)-2-[7'-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(9-methylidenefluoren-2-yl)fluoren-2-amine?

The canonical SMILES for 7-[(E)-2-[7'-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(9-methylidenefluoren-2-yl)fluoren-2-amine is C=C1c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(/C=C/c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(/C=C/c7ccc8c(c7)C(C)(C)c7cc(N(c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7-8)ccc5-6)ccc3-4)cc21.

What is the InChIKey of 7-[(E)-2-[7'-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(9-methylidenefluoren-2-yl)fluoren-2-amine?

The InChIKey is MCZSPWSRJPYVNI-NFSGFYSESA-N. The full InChI is InChI=1S/C118H90N2/c1-70-81-24-12-13-25-82(81)83-54-44-75(64-98(70)83)119(76-45-55-91-84-26-14-19-31-99(84)113(2,3)106(91)65-76)77-48-58-94-89-50-40-71(60-104(89)116(8,9)109(94)68-77)36-38-73-42-52-96-97-53-43-74(63-112(97)118(111(96)62-73)102-34-22-17-29-87(102)88-30-18-23-35-103(88)118)39-37-72-41-51-90-95-59-49-80(69-110(95)117(10,11)105(90)61-72)120(78-46-56-92-85-27-15-20-32-100(85)114(4,5)107(92)66-78)79-47-57-93-86-28-16-21-33-101(86)115(6,7)108(93)67-79/h12-69H,1H2,2-11H3/b38-36+,39-37+.

What are the key properties of 7-[(E)-2-[7'-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(9-methylidenefluoren-2-yl)fluoren-2-amine?

7-[(E)-2-[7'-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(9-methylidenefluoren-2-yl)fluoren-2-amine has a molecular weight of 1536.03 g/mol, XLogP of 30.88, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(E)-2-[7'-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(9-methylidenefluoren-2-yl)fluoren-2-amine is sourced from PubChem (CID 89087903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).