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

C77H68N2 — CID 59246550

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

7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine (PubChem CID 59246550) has the molecular formula C77H68N2 and a molecular weight of 1021.40 g/mol. Its IUPAC name is 7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine
• PubChem CID: 59246550
• Molecular Formula: C77H68N2
• Molecular Weight: 1021.40 g/mol
• Exact Mass: 1020.54
• IUPAC Name: 7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine
• SMILES: Cc1ccccc1N(c1ccc2c(c1)C(C)(C)c1cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccccc7C)c7ccccc7C)ccc5-6)ccc3-4)ccc1-2)c1ccccc1C
• InChI: InChI=1S/C77H68N2/c1-49-19-11-15-23-71(49)78(72-24-16-12-20-50(72)2)57-35-41-63-61-39-33-55(45-67(61)76(7,8)69(63)47-57)29-27-53-31-37-59-60-38-32-54(44-66(60)75(5,6)65(59)43-53)28-30-56-34-40-62-64-42-36-58(48-70(64)77(9,10)68(62)46-56)79(73-25-17-13-21-51(73)3)74-26-18-14-22-52(74)4/h11-48H,1-10H3/b29-27+,30-28+
• InChIKey: PUDRVSQRQAPWIW-QAVVBOBSSA-N
• XLogP: 21.12
• 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	1021.40
LogP ≤ 5	21.12
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-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine?

The IUPAC name of 7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine (CID 59246550) is 7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine.

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

The canonical SMILES for 7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine is Cc1ccccc1N(c1ccc2c(c1)C(C)(C)c1cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccccc7C)c7ccccc7C)ccc5-6)ccc3-4)ccc1-2)c1ccccc1C.

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

The InChIKey is PUDRVSQRQAPWIW-QAVVBOBSSA-N. The full InChI is InChI=1S/C77H68N2/c1-49-19-11-15-23-71(49)78(72-24-16-12-20-50(72)2)57-35-41-63-61-39-33-55(45-67(61)76(7,8)69(63)47-57)29-27-53-31-37-59-60-38-32-54(44-66(60)75(5,6)65(59)43-53)28-30-56-34-40-62-64-42-36-58(48-70(64)77(9,10)68(62)46-56)79(73-25-17-13-21-51(73)3)74-26-18-14-22-52(74)4/h11-48H,1-10H3/b29-27+,30-28+.

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

7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine has a molecular weight of 1021.40 g/mol, XLogP of 21.12, 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-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 59246550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).