N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine

C51H43N — CID 170449621

About N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine

N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170449621) has the molecular formula C51H43N and a molecular weight of 669.91 g/mol. Its IUPAC name is N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 170449621
• Molecular Formula: C51H43N
• Molecular Weight: 669.91 g/mol
• Exact Mass: 669.34
• IUPAC Name: N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
• SMILES: CC1(C)CCC(C)(C)c2c(-c3cc4c(cc3Nc3ccc(-c5ccccc5)cc3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21
• InChI: InChI=1S/C51H43N/c1-49(2)29-30-50(3,4)48-39(20-14-24-45(48)49)41-31-40-38-19-10-13-23-44(38)51(42-21-11-8-17-36(42)37-18-9-12-22-43(37)51)46(40)32-47(41)52-35-27-25-34(26-28-35)33-15-6-5-7-16-33/h5-28,31-32,52H,29-30H2,1-4H3
• InChIKey: XGRZREBEAQOAOP-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.91
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine (CID 170449621) is N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine.

What is the SMILES notation for N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?

The canonical SMILES for N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine is CC1(C)CCC(C)(C)c2c(-c3cc4c(cc3Nc3ccc(-c5ccccc5)cc3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21.

What is the InChIKey of N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?

The InChIKey is XGRZREBEAQOAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43N/c1-49(2)29-30-50(3,4)48-39(20-14-24-45(48)49)41-31-40-38-19-10-13-23-44(38)51(42-21-11-8-17-36(42)37-18-9-12-22-43(37)51)46(40)32-47(41)52-35-27-25-34(26-28-35)33-15-6-5-7-16-33/h5-28,31-32,52H,29-30H2,1-4H3.

What are the key properties of N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?

N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 669.91 g/mol, XLogP of 13.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170449621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).