N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine

C60H53N — CID 170445119

About N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine

N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine (PubChem CID 170445119) has the molecular formula C60H53N and a molecular weight of 788.09 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
• PubChem CID: 170445119
• Molecular Formula: C60H53N
• Molecular Weight: 788.09 g/mol
• Exact Mass: 787.42
• IUPAC Name: N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccccc3)c3ccc5c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)C(C)(C)c3ccccc3-4)ccc21
• InChI: InChI=1S/C60H53N/c1-57(2)34-35-58(3,4)55-36-40(30-33-52(55)57)48-38-49-46-27-16-18-28-50(46)59(5,6)53(49)39-56(48)61(43-24-14-9-15-25-43)44-31-32-47-45-26-17-19-29-51(45)60(54(47)37-44,41-20-10-7-11-21-41)42-22-12-8-13-23-42/h7-33,36-39H,34-35H2,1-6H3
• InChIKey: AEIIUQNCVPZMIJ-UHFFFAOYSA-N
• XLogP: 15.84
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.09
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine?

The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine (CID 170445119) is N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine is CC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccccc3)c3ccc5c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)C(C)(C)c3ccccc3-4)ccc21.

What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine?

The InChIKey is AEIIUQNCVPZMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H53N/c1-57(2)34-35-58(3,4)55-36-40(30-33-52(55)57)48-38-49-46-27-16-18-28-50(46)59(5,6)53(49)39-56(48)61(43-24-14-9-15-25-43)44-31-32-47-45-26-17-19-29-51(45)60(54(47)37-44,41-20-10-7-11-21-41)42-22-12-8-13-23-42/h7-33,36-39H,34-35H2,1-6H3.

What are the key properties of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine?

N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine has a molecular weight of 788.09 g/mol, XLogP of 15.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 170445119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).