7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine

C58H50N2 — CID 89074664

About 7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine

7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine (PubChem CID 89074664) has the molecular formula C58H50N2 and a molecular weight of 775.05 g/mol. Its IUPAC name is 7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: 7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine
• PubChem CID: 89074664
• Molecular Formula: C58H50N2
• Molecular Weight: 775.05 g/mol
• Exact Mass: 774.40
• IUPAC Name: 7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine
• SMILES: Cc1cccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6cccc(C)c6)ccc4-5)ccc2-3)c1
• InChI: InChI=1S/C58H50N2/c1-39-15-13-21-45(33-39)59(43-17-9-7-10-18-43)47-27-31-51-49-29-25-41(35-53(49)57(3,4)55(51)37-47)23-24-42-26-30-50-52-32-28-48(38-56(52)58(5,6)54(50)36-42)60(44-19-11-8-12-20-44)46-22-14-16-40(2)34-46/h7-38H,1-6H3/b24-23+
• InChIKey: JWDQACOHSVPSTI-WCWDXBQESA-N
• XLogP: 16.03
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.05
LogP ≤ 5	16.03
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-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine?

The IUPAC name of 7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine (CID 89074664) is 7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine.

What is the SMILES notation for 7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine?

The canonical SMILES for 7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine is Cc1cccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6cccc(C)c6)ccc4-5)ccc2-3)c1.

What is the InChIKey of 7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine?

The InChIKey is JWDQACOHSVPSTI-WCWDXBQESA-N. The full InChI is InChI=1S/C58H50N2/c1-39-15-13-21-45(33-39)59(43-17-9-7-10-18-43)47-27-31-51-49-29-25-41(35-53(49)57(3,4)55(51)37-47)23-24-42-26-30-50-52-32-28-48(38-56(52)58(5,6)54(50)36-42)60(44-19-11-8-12-20-44)46-22-14-16-40(2)34-46/h7-38H,1-6H3/b24-23+.

What are the key properties of 7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine?

7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine has a molecular weight of 775.05 g/mol, XLogP of 16.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine is sourced from PubChem (CID 89074664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).