N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine

C65H53N — CID 170217768

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine (PubChem CID 170217768) has the molecular formula C65H53N and a molecular weight of 848.15 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
• PubChem CID: 170217768
• Molecular Formula: C65H53N
• Molecular Weight: 848.15 g/mol
• Exact Mass: 847.42
• IUPAC Name: N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)cc3)cc21
• InChI: InChI=1S/C65H53N/c1-63(2)57-23-10-7-18-50(57)53-36-30-44(40-60(53)63)42-26-31-45(32-27-42)66(47-35-37-54-51-19-9-12-25-59(51)65(61(54)41-47)38-13-14-39-65)46-33-28-43(29-34-46)48-16-5-6-17-49(48)55-21-15-22-56-52-20-8-11-24-58(52)64(3,4)62(55)56/h5-12,15-37,40-41H,13-14,38-39H2,1-4H3
• InChIKey: FUNTWOBHXGRDDM-UHFFFAOYSA-N
• XLogP: 17.61
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.15
LogP ≤ 5	17.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?

The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine (CID 170217768) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine.

What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?

The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)cc3)cc21.

What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?

The InChIKey is FUNTWOBHXGRDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53N/c1-63(2)57-23-10-7-18-50(57)53-36-30-44(40-60(53)63)42-26-31-45(32-27-42)66(47-35-37-54-51-19-9-12-25-59(51)65(61(54)41-47)38-13-14-39-65)46-33-28-43(29-34-46)48-16-5-6-17-49(48)55-21-15-22-56-52-20-8-11-24-58(52)64(3,4)62(55)56/h5-12,15-37,40-41H,13-14,38-39H2,1-4H3.

What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine has a molecular weight of 848.15 g/mol, XLogP of 17.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 170217768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).