N,N-bis(4-tert-butylphenyl)-3'-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine

C60H61N — CID 170449198

About N,N-bis(4-tert-butylphenyl)-3'-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine

N,N-bis(4-tert-butylphenyl)-3'-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170449198) has the molecular formula C60H61N and a molecular weight of 796.15 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-3'-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: N,N-bis(4-tert-butylphenyl)-3'-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 170449198
• Molecular Formula: C60H61N
• Molecular Weight: 796.15 g/mol
• Exact Mass: 795.48
• IUPAC Name: N,N-bis(4-tert-butylphenyl)-3'-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
• SMILES: Cc1ccc2c(c1-c1cc3c(cc1N(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1)C1(c4ccccc4-c4ccccc41)c1ccccc1-3)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C60H61N/c1-38-24-33-51-55(59(10,11)35-34-58(51,8)9)54(38)47-36-46-45-20-14-17-23-50(45)60(48-21-15-12-18-43(48)44-19-13-16-22-49(44)60)52(46)37-53(47)61(41-29-25-39(26-30-41)56(2,3)4)42-31-27-40(28-32-42)57(5,6)7/h12-33,36-37H,34-35H2,1-11H3
• InChIKey: BDMDXPVWQSBTQT-UHFFFAOYSA-N
• XLogP: 16.42
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.15
LogP ≤ 5	16.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of N,N-bis(4-tert-butylphenyl)-3'-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine (CID 170449198) is N,N-bis(4-tert-butylphenyl)-3'-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine.

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

The canonical SMILES for N,N-bis(4-tert-butylphenyl)-3'-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine is Cc1ccc2c(c1-c1cc3c(cc1N(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1)C1(c4ccccc4-c4ccccc41)c1ccccc1-3)C(C)(C)CCC2(C)C.

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

The InChIKey is BDMDXPVWQSBTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H61N/c1-38-24-33-51-55(59(10,11)35-34-58(51,8)9)54(38)47-36-46-45-20-14-17-23-50(45)60(48-21-15-12-18-43(48)44-19-13-16-22-49(44)60)52(46)37-53(47)61(41-29-25-39(26-30-41)56(2,3)4)42-31-27-40(28-32-42)57(5,6)7/h12-33,36-37H,34-35H2,1-11H3.

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

N,N-bis(4-tert-butylphenyl)-3'-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 796.15 g/mol, XLogP of 16.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-tert-butylphenyl)-3'-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170449198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).