N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine

C73H53N — CID 89083660

About N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine

N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine (PubChem CID 89083660) has the molecular formula C73H53N and a molecular weight of 944.23 g/mol. Its IUPAC name is N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
• PubChem CID: 89083660
• Molecular Formula: C73H53N
• Molecular Weight: 944.23 g/mol
• Exact Mass: 943.42
• IUPAC Name: N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3c3c(-c5ccc(N(c6ccccc6)c6cccc7c6C=CCC7)cc5)cc(-c5ccccc5)c(-c5ccccc5)c43)cc21
• InChI: InChI=1S/C73H53N/c1-73(2)67-32-18-17-31-59(67)60-41-36-55(46-68(60)73)54-38-43-62-66(45-54)65-44-53(48-20-7-3-8-21-48)37-42-61(65)71-64(47-63(50-22-9-4-10-23-50)70(72(62)71)52-25-11-5-12-26-52)51-34-39-57(40-35-51)74(56-28-13-6-14-29-56)69-33-19-27-49-24-15-16-30-58(49)69/h3-14,16-23,25-47H,15,24H2,1-2H3
• InChIKey: ZYHTUZGIIMDAQI-UHFFFAOYSA-N
• XLogP: 20.22
• 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	944.23
LogP ≤ 5	20.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine?

The IUPAC name of N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine (CID 89083660) is N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine.

What is the SMILES notation for N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine?

The canonical SMILES for N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3c3c(-c5ccc(N(c6ccccc6)c6cccc7c6C=CCC7)cc5)cc(-c5ccccc5)c(-c5ccccc5)c43)cc21.

What is the InChIKey of N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine?

The InChIKey is ZYHTUZGIIMDAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H53N/c1-73(2)67-32-18-17-31-59(67)60-41-36-55(46-68(60)73)54-38-43-62-66(45-54)65-44-53(48-20-7-3-8-21-48)37-42-61(65)71-64(47-63(50-22-9-4-10-23-50)70(72(62)71)52-25-11-5-12-26-52)51-34-39-57(40-35-51)74(56-28-13-6-14-29-56)69-33-19-27-49-24-15-16-30-58(49)69/h3-14,16-23,25-47H,15,24H2,1-2H3.

What are the key properties of N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine?

N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine has a molecular weight of 944.23 g/mol, XLogP of 20.22, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine is sourced from PubChem (CID 89083660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).