N-[4-[2-(9H-fluoren-9-yl)ethenyl]phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine

C58H45N — CID 77387007

About N-[4-[2-(9H-fluoren-9-yl)ethenyl]phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine

N-[4-[2-(9H-fluoren-9-yl)ethenyl]phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine (PubChem CID 77387007) has the molecular formula C58H45N and a molecular weight of 756.01 g/mol. Its IUPAC name is N-[4-[2-(9H-fluoren-9-yl)ethenyl]phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[2-(9H-fluoren-9-yl)ethenyl]phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine
• PubChem CID: 77387007
• Molecular Formula: C58H45N
• Molecular Weight: 756.01 g/mol
• Exact Mass: 755.36
• IUPAC Name: N-[4-[2-(9H-fluoren-9-yl)ethenyl]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=CC4c5ccccc5-c5ccccc54)cc3)cc21
• InChI: InChI=1S/C58H45N/c1-58(2)56-39-45(24-23-42-15-7-4-8-16-42)30-37-54(56)55-38-35-48(40-57(55)58)59(46-31-25-43(26-32-46)22-21-41-13-5-3-6-14-41)47-33-27-44(28-34-47)29-36-53-51-19-11-9-17-49(51)50-18-10-12-20-52(50)53/h3-40,53H,1-2H3
• InChIKey: KSBNTIQDGVGCSK-UHFFFAOYSA-N
• XLogP: 15.63
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.01
LogP ≤ 5	15.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(9H-fluoren-9-yl)ethenyl]phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine?

The IUPAC name of N-[4-[2-(9H-fluoren-9-yl)ethenyl]phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine (CID 77387007) is N-[4-[2-(9H-fluoren-9-yl)ethenyl]phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine.

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

The canonical SMILES for N-[4-[2-(9H-fluoren-9-yl)ethenyl]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=CC4c5ccccc5-c5ccccc54)cc3)cc21.

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

The InChIKey is KSBNTIQDGVGCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N/c1-58(2)56-39-45(24-23-42-15-7-4-8-16-42)30-37-54(56)55-38-35-48(40-57(55)58)59(46-31-25-43(26-32-46)22-21-41-13-5-3-6-14-41)47-33-27-44(28-34-47)29-36-53-51-19-11-9-17-49(51)50-18-10-12-20-52(50)53/h3-40,53H,1-2H3.

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

N-[4-[2-(9H-fluoren-9-yl)ethenyl]phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine has a molecular weight of 756.01 g/mol, XLogP of 15.63, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(9H-fluoren-9-yl)ethenyl]phenyl]-9,9-dimethyl-7-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 77387007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).