N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine

C60H47N — CID 170117213

About N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine

N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine (PubChem CID 170117213) has the molecular formula C60H47N and a molecular weight of 782.04 g/mol. Its IUPAC name is N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine.

Molecular Properties

• Compound Name: N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine
• PubChem CID: 170117213
• Molecular Formula: C60H47N
• Molecular Weight: 782.04 g/mol
• Exact Mass: 781.37
• IUPAC Name: N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine
• SMILES: c1ccc(-c2cccc(-c3ccc(N(c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)c4cccc5c4-c4ccccc4C54CCCCC4)cc3)c2)cc1
• InChI: InChI=1S/C60H47N/c1-4-20-43(21-5-1)46-24-18-25-47(42-46)44-36-38-48(39-37-44)61(58-35-19-33-56-59(58)54-31-12-14-32-55(54)60(56)40-16-3-17-41-60)57-34-15-13-30-53(57)52-29-11-10-28-51(52)50-27-9-8-26-49(50)45-22-6-2-7-23-45/h1-2,4-15,18-39,42H,3,16-17,40-41H2
• InChIKey: DLOCHQBDYMVCTJ-UHFFFAOYSA-N
• XLogP: 16.72
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.04
LogP ≤ 5	16.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine?

The IUPAC name of N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine (CID 170117213) is N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine.

What is the SMILES notation for N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine?

The canonical SMILES for N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)c4cccc5c4-c4ccccc4C54CCCCC4)cc3)c2)cc1.

What is the InChIKey of N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine?

The InChIKey is DLOCHQBDYMVCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47N/c1-4-20-43(21-5-1)46-24-18-25-47(42-46)44-36-38-48(39-37-44)61(58-35-19-33-56-59(58)54-31-12-14-32-55(54)60(56)40-16-3-17-41-60)57-34-15-13-30-53(57)52-29-11-10-28-51(52)50-27-9-8-26-49(50)45-22-6-2-7-23-45/h1-2,4-15,18-39,42H,3,16-17,40-41H2.

What are the key properties of N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine?

N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine has a molecular weight of 782.04 g/mol, XLogP of 16.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine is sourced from PubChem (CID 170117213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).