N-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine

C69H45F4N — CID 123901192

About N-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 123901192) has the molecular formula C69H45F4N and a molecular weight of 964.12 g/mol. Its IUPAC name is N-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

• Compound Name: N-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
• PubChem CID: 123901192
• Molecular Formula: C69H45F4N
• Molecular Weight: 964.12 g/mol
• Exact Mass: 963.35
• IUPAC Name: N-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5c(F)c(F)c(C=Cc6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6)c(F)c5F)c5ccccc45)c4ccccc34)cc21
• InChI: InChI=1S/C69H45F4N/c1-69(2)60-27-15-14-22-52(60)53-37-32-45(41-61(53)69)49-38-39-58(51-21-9-8-20-50(49)51)62-54-23-10-12-25-56(54)63(57-26-13-11-24-55(57)62)64-67(72)65(70)59(66(71)68(64)73)36-30-42-28-33-47(34-29-42)74(46-18-4-3-5-19-46)48-35-31-43-16-6-7-17-44(43)40-48/h3-41H,1-2H3
• InChIKey: BWVIXKMGICISPJ-UHFFFAOYSA-N
• XLogP: 19.80
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	964.12
LogP ≤ 5	19.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?

The IUPAC name of N-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 123901192) is N-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine.

What is the SMILES notation for N-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?

The canonical SMILES for N-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5c(F)c(F)c(C=Cc6ccc(N(c7ccccc7)c7ccc8ccccc8c7)cc6)c(F)c5F)c5ccccc45)c4ccccc34)cc21.

What is the InChIKey of N-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?

The InChIKey is BWVIXKMGICISPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45F4N/c1-69(2)60-27-15-14-22-52(60)53-37-32-45(41-61(53)69)49-38-39-58(51-21-9-8-20-50(49)51)62-54-23-10-12-25-56(54)63(57-26-13-11-24-55(57)62)64-67(72)65(70)59(66(71)68(64)73)36-30-42-28-33-47(34-29-42)74(46-18-4-3-5-19-46)48-35-31-43-16-6-7-17-44(43)40-48/h3-41H,1-2H3.

What are the key properties of N-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?

N-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 964.12 g/mol, XLogP of 19.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-[10-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]anthracen-9-yl]-2,3,5,6-tetrafluorophenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 123901192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).