7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine

C63H52N2 — CID 89068180

About 7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine

7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine (PubChem CID 89068180) has the molecular formula C63H52N2 and a molecular weight of 837.12 g/mol. Its IUPAC name is 7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: 7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
• PubChem CID: 89068180
• Molecular Formula: C63H52N2
• Molecular Weight: 837.12 g/mol
• Exact Mass: 836.41
• IUPAC Name: 7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
• SMILES: Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)ccc2-3)cc1
• InChI: InChI=1S/C63H52N2/c1-43-21-29-50(30-22-43)65(51-31-27-47(28-32-51)46-15-9-6-10-16-46)53-34-38-57-55-36-26-45(40-59(55)63(4,5)61(57)42-53)24-23-44-25-35-54-56-37-33-52(41-60(56)62(2,3)58(54)39-44)64(48-17-11-7-12-18-48)49-19-13-8-14-20-49/h6-42H,1-5H3/b24-23+
• InChIKey: JNFGCSPZGYAIEJ-WCWDXBQESA-N
• XLogP: 17.38
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.12
LogP ≤ 5	17.38
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-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The IUPAC name of 7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine (CID 89068180) is 7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine.

What is the SMILES notation for 7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The canonical SMILES for 7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine is Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)ccc2-3)cc1.

What is the InChIKey of 7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The InChIKey is JNFGCSPZGYAIEJ-WCWDXBQESA-N. The full InChI is InChI=1S/C63H52N2/c1-43-21-29-50(30-22-43)65(51-31-27-47(28-32-51)46-15-9-6-10-16-46)53-34-38-57-55-36-26-45(40-59(55)63(4,5)61(57)42-53)24-23-44-25-35-54-56-37-33-52(41-60(56)62(2,3)58(54)39-44)64(48-17-11-7-12-18-48)49-19-13-8-14-20-49/h6-42H,1-5H3/b24-23+.

What are the key properties of 7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine has a molecular weight of 837.12 g/mol, XLogP of 17.38, 9 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-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 89068180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).