N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine

C88H64N2 — CID 59246384

About N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine

N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine (PubChem CID 59246384) has the molecular formula C88H64N2 and a molecular weight of 1149.49 g/mol. Its IUPAC name is N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine.

Molecular Properties

• Compound Name: N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine
• PubChem CID: 59246384
• Molecular Formula: C88H64N2
• Molecular Weight: 1149.49 g/mol
• Exact Mass: 1148.51
• IUPAC Name: N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine
• SMILES: CC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6cccc7ccccc67)c6cc7ccccc7c7ccccc67)ccc4-5)cc3)ccc2-c2ccc(N(c3cccc4ccccc34)c3cc4ccccc4c4ccccc34)cc21
• InChI: InChI=1S/C88H64N2/c1-87(2)79-51-59(43-47-73(79)75-49-45-65(55-81(75)87)89(83-33-17-23-61-19-5-11-27-69(61)83)85-53-63-21-7-9-25-67(63)71-29-13-15-31-77(71)85)41-39-57-35-37-58(38-36-57)40-42-60-44-48-74-76-50-46-66(56-82(76)88(3,4)80(74)52-60)90(84-34-18-24-62-20-6-12-28-70(62)84)86-54-64-22-8-10-26-68(64)72-30-14-16-32-78(72)86/h5-56H,1-4H3/b41-39+,42-40+
• InChIKey: FERVTHDLOGEYLH-LMXNTIJMSA-N
• XLogP: 24.50
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1149.49
LogP ≤ 5	24.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine?

The IUPAC name of N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine (CID 59246384) is N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine.

What is the SMILES notation for N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine?

The canonical SMILES for N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine is CC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6cccc7ccccc67)c6cc7ccccc7c7ccccc67)ccc4-5)cc3)ccc2-c2ccc(N(c3cccc4ccccc34)c3cc4ccccc4c4ccccc34)cc21.

What is the InChIKey of N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine?

The InChIKey is FERVTHDLOGEYLH-LMXNTIJMSA-N. The full InChI is InChI=1S/C88H64N2/c1-87(2)79-51-59(43-47-73(79)75-49-45-65(55-81(75)87)89(83-33-17-23-61-19-5-11-27-69(61)83)85-53-63-21-7-9-25-67(63)71-29-13-15-31-77(71)85)41-39-57-35-37-58(38-36-57)40-42-60-44-48-74-76-50-46-66(56-82(76)88(3,4)80(74)52-60)90(84-34-18-24-62-20-6-12-28-70(62)84)86-54-64-22-8-10-26-68(64)72-30-14-16-32-78(72)86/h5-56H,1-4H3/b41-39+,42-40+.

What are the key properties of N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine?

N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine has a molecular weight of 1149.49 g/mol, XLogP of 24.50, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(phenanthren-9-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-1-ylphenanthren-9-amine is sourced from PubChem (CID 59246384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).