N-[4-(2-dibenzofuran-2-ylethenyl)phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine

C57H43NO — CID 77387006

About N-[4-(2-dibenzofuran-2-ylethenyl)phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine

N-[4-(2-dibenzofuran-2-ylethenyl)phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine (PubChem CID 77387006) has the molecular formula C57H43NO and a molecular weight of 757.98 g/mol. Its IUPAC name is N-[4-(2-dibenzofuran-2-ylethenyl)phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(2-dibenzofuran-2-ylethenyl)phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine
• PubChem CID: 77387006
• Molecular Formula: C57H43NO
• Molecular Weight: 757.98 g/mol
• Exact Mass: 757.33
• IUPAC Name: N-[4-(2-dibenzofuran-2-ylethenyl)phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(C=Cc3ccccc3)ccc2-c2ccc(N(c3ccc(C=Cc4ccccc4)cc3)c3ccc(C=Cc4ccc5oc6ccccc6c5c4)cc3)cc21
• InChI: InChI=1S/C57H43NO/c1-57(2)53-38-45(22-19-41-13-7-4-8-14-41)27-34-49(53)50-35-33-48(39-54(50)57)58(46-29-23-42(24-30-46)18-17-40-11-5-3-6-12-40)47-31-25-43(26-32-47)20-21-44-28-36-56-52(37-44)51-15-9-10-16-55(51)59-56/h3-39H,1-2H3
• InChIKey: CCWHCLUQMSJRMG-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.98
LogP ≤ 5	15.87
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 N-[4-(2-dibenzofuran-2-ylethenyl)phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine?

The IUPAC name of N-[4-(2-dibenzofuran-2-ylethenyl)phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine (CID 77387006) is N-[4-(2-dibenzofuran-2-ylethenyl)phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine.

What is the SMILES notation for N-[4-(2-dibenzofuran-2-ylethenyl)phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine?

The canonical SMILES for N-[4-(2-dibenzofuran-2-ylethenyl)phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine is CC1(C)c2cc(C=Cc3ccccc3)ccc2-c2ccc(N(c3ccc(C=Cc4ccccc4)cc3)c3ccc(C=Cc4ccc5oc6ccccc6c5c4)cc3)cc21.

What is the InChIKey of N-[4-(2-dibenzofuran-2-ylethenyl)phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine?

The InChIKey is CCWHCLUQMSJRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43NO/c1-57(2)53-38-45(22-19-41-13-7-4-8-14-41)27-34-49(53)50-35-33-48(39-54(50)57)58(46-29-23-42(24-30-46)18-17-40-11-5-3-6-12-40)47-31-25-43(26-32-47)20-21-44-28-36-56-52(37-44)51-15-9-10-16-55(51)59-56/h3-39H,1-2H3.

What are the key properties of N-[4-(2-dibenzofuran-2-ylethenyl)phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine?

N-[4-(2-dibenzofuran-2-ylethenyl)phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine has a molecular weight of 757.98 g/mol, XLogP of 15.87, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-dibenzofuran-2-ylethenyl)phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 77387006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).