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

C55H51N — CID 170215895

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

N-[2-(4-tert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine (PubChem CID 170215895) has the molecular formula C55H51N and a molecular weight of 726.02 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-[2-(4-tert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
• PubChem CID: 170215895
• Molecular Formula: C55H51N
• Molecular Weight: 726.02 g/mol
• Exact Mass: 725.40
• IUPAC Name: N-[2-(4-tert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
• SMILES: CC(C)(C)c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3C(C)(C)c3ccccc3-4)cc2)c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)cc1
• InChI: InChI=1S/C55H51N/c1-53(2,3)39-28-24-37(25-29-39)42-16-9-12-23-51(42)56(41-32-33-46-44-17-8-11-22-49(44)55(50(46)36-41)34-13-6-14-35-55)40-30-26-38(27-31-40)43-19-15-20-47-45-18-7-10-21-48(45)54(4,5)52(43)47/h7-12,15-33,36H,6,13-14,34-35H2,1-5H3
• InChIKey: BQKBXJXGQRDZAJ-UHFFFAOYSA-N
• XLogP: 15.32
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.02
LogP ≤ 5	15.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of N-[2-(4-tert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine (CID 170215895) is N-[2-(4-tert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine.

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

The canonical SMILES for N-[2-(4-tert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine is CC(C)(C)c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3C(C)(C)c3ccccc3-4)cc2)c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)cc1.

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

The InChIKey is BQKBXJXGQRDZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H51N/c1-53(2,3)39-28-24-37(25-29-39)42-16-9-12-23-51(42)56(41-32-33-46-44-17-8-11-22-49(44)55(50(46)36-41)34-13-6-14-35-55)40-30-26-38(27-31-40)43-19-15-20-47-45-18-7-10-21-48(45)54(4,5)52(43)47/h7-12,15-33,36H,6,13-14,34-35H2,1-5H3.

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

N-[2-(4-tert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine has a molecular weight of 726.02 g/mol, XLogP of 15.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-tert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 170215895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).