N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine

C61H42FN — CID 90336192

About N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine

N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 90336192) has the molecular formula C61H42FN and a molecular weight of 808.01 g/mol. Its IUPAC name is N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine
• PubChem CID: 90336192
• Molecular Formula: C61H42FN
• Molecular Weight: 808.01 g/mol
• Exact Mass: 807.33
• IUPAC Name: N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(F)cc3)c3ccc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)cc3)cc21
• InChI: InChI=1S/C61H42FN/c1-61(2)57-24-10-9-19-49(57)50-36-34-46(38-58(50)61)63(45-32-28-43(62)29-33-45)44-30-25-39(26-31-44)42-27-35-55-56(37-42)60(52-23-12-16-41-14-4-6-18-48(41)52)54-21-8-7-20-53(54)59(55)51-22-11-15-40-13-3-5-17-47(40)51/h3-38H,1-2H3
• InChIKey: SWDJFRUTNHLHLC-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.01
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine?

The IUPAC name of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine (CID 90336192) is N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine?

The canonical SMILES for N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(F)cc3)c3ccc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)cc3)cc21.

What is the InChIKey of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine?

The InChIKey is SWDJFRUTNHLHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42FN/c1-61(2)57-24-10-9-19-49(57)50-36-34-46(38-58(50)61)63(45-32-28-43(62)29-33-45)44-30-25-39(26-31-44)42-27-35-55-56(37-42)60(52-23-12-16-41-14-4-6-18-48(41)52)54-21-8-7-20-53(54)59(55)51-22-11-15-40-13-3-5-17-47(40)51/h3-38H,1-2H3.

What are the key properties of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine?

N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 808.01 g/mol, XLogP of 17.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 90336192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).