7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine

C76H68N2S — CID 59246350

About 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine

7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine (PubChem CID 59246350) has the molecular formula C76H68N2S and a molecular weight of 1041.46 g/mol. Its IUPAC name is 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
• PubChem CID: 59246350
• Molecular Formula: C76H68N2S
• Molecular Weight: 1041.46 g/mol
• Exact Mass: 1040.51
• IUPAC Name: 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)-c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8ccc(C)cc8)c8ccc(C)cc8)ccc6-7)ccc4S5(C)C)ccc2-3)cc1
• InChI: InChI=1S/C76H68N2S/c1-49-11-27-57(28-12-49)77(58-29-13-50(2)14-30-58)61-35-39-65-63-37-23-55(45-69(63)75(5,6)71(65)47-61)21-19-53-25-41-73-67(43-53)68-44-54(26-42-74(68)79(73,9)10)20-22-56-24-38-64-66-40-36-62(48-72(66)76(7,8)70(64)46-56)78(59-31-15-51(3)16-32-59)60-33-17-52(4)18-34-60/h11-48H,1-10H3/b21-19+,22-20+
• InChIKey: SYFYXBAEXJKKGY-FLFKKZLDSA-N
• XLogP: 21.28
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1041.46
LogP ≤ 5	21.28
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-[8-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine?

The IUPAC name of 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine (CID 59246350) is 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine.

What is the SMILES notation for 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine?

The canonical SMILES for 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)-c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8ccc(C)cc8)c8ccc(C)cc8)ccc6-7)ccc4S5(C)C)ccc2-3)cc1.

What is the InChIKey of 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine?

The InChIKey is SYFYXBAEXJKKGY-FLFKKZLDSA-N. The full InChI is InChI=1S/C76H68N2S/c1-49-11-27-57(28-12-49)77(58-29-13-50(2)14-30-58)61-35-39-65-63-37-23-55(45-69(63)75(5,6)71(65)47-61)21-19-53-25-41-73-67(43-53)68-44-54(26-42-74(68)79(73,9)10)20-22-56-24-38-64-66-40-36-62(48-72(66)76(7,8)70(64)46-56)78(59-31-15-51(3)16-32-59)60-33-17-52(4)18-34-60/h11-48H,1-10H3/b21-19+,22-20+.

What are the key properties of 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine?

7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine has a molecular weight of 1041.46 g/mol, XLogP of 21.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 59246350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).