4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-[10-[4-(9-phenylfluoren-9-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]naphthalen-1-amine

C71H49N — CID 168837021

About 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-[10-[4-(9-phenylfluoren-9-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]naphthalen-1-amine

4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-[10-[4-(9-phenylfluoren-9-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]naphthalen-1-amine (PubChem CID 168837021) has the molecular formula C71H49N and a molecular weight of 916.18 g/mol. Its IUPAC name is 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-[10-[4-(9-phenylfluoren-9-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]naphthalen-1-amine.

Molecular Properties

• Compound Name: 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-[10-[4-(9-phenylfluoren-9-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]naphthalen-1-amine
• PubChem CID: 168837021
• Molecular Formula: C71H49N
• Molecular Weight: 916.18 g/mol
• Exact Mass: 915.39
• IUPAC Name: 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-[10-[4-(9-phenylfluoren-9-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]naphthalen-1-amine
• SMILES: Cc1ccc(N(c2ccc3cc(-c4c5ccccc5c(-c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)c5ccccc45)ccc3c2)c2ccc(C)c3ccccc23)c2ccccc12
• InChI: InChI=1S/C71H49N/c1-46-32-42-67(59-24-8-6-20-55(46)59)72(68-43-33-47(2)56-21-7-9-25-60(56)68)54-41-38-49-44-51(35-34-50(49)45-54)70-63-28-12-10-26-61(63)69(62-27-11-13-29-64(62)70)48-36-39-53(40-37-48)71(52-18-4-3-5-19-52)65-30-16-14-22-57(65)58-23-15-17-31-66(58)71/h3-45H,1-2H3
• InChIKey: SJZUYXIYLVQBCU-UHFFFAOYSA-N
• XLogP: 19.24
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	916.18
LogP ≤ 5	19.24
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 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-[10-[4-(9-phenylfluoren-9-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]naphthalen-1-amine?

The IUPAC name of 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-[10-[4-(9-phenylfluoren-9-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]naphthalen-1-amine (CID 168837021) is 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-[10-[4-(9-phenylfluoren-9-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]naphthalen-1-amine.

What is the SMILES notation for 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-[10-[4-(9-phenylfluoren-9-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]naphthalen-1-amine?

The canonical SMILES for 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-[10-[4-(9-phenylfluoren-9-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]naphthalen-1-amine is Cc1ccc(N(c2ccc3cc(-c4c5ccccc5c(-c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)c5ccccc45)ccc3c2)c2ccc(C)c3ccccc23)c2ccccc12.

What is the InChIKey of 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-[10-[4-(9-phenylfluoren-9-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]naphthalen-1-amine?

The InChIKey is SJZUYXIYLVQBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H49N/c1-46-32-42-67(59-24-8-6-20-55(46)59)72(68-43-33-47(2)56-21-7-9-25-60(56)68)54-41-38-49-44-51(35-34-50(49)45-54)70-63-28-12-10-26-61(63)69(62-27-11-13-29-64(62)70)48-36-39-53(40-37-48)71(52-18-4-3-5-19-52)65-30-16-14-22-57(65)58-23-15-17-31-66(58)71/h3-45H,1-2H3.

What are the key properties of 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-[10-[4-(9-phenylfluoren-9-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]naphthalen-1-amine?

4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-[10-[4-(9-phenylfluoren-9-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]naphthalen-1-amine has a molecular weight of 916.18 g/mol, XLogP of 19.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-[10-[4-(9-phenylfluoren-9-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]naphthalen-1-amine is sourced from PubChem (CID 168837021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).