N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine

C60H47N — CID 170216024

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine (PubChem CID 170216024) has the molecular formula C60H47N and a molecular weight of 782.04 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
• PubChem CID: 170216024
• Molecular Formula: C60H47N
• Molecular Weight: 782.04 g/mol
• Exact Mass: 781.37
• IUPAC Name: N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
• SMILES: CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)cc3)c21
• InChI: InChI=1S/C60H47N/c1-59(2)54-25-8-6-20-51(54)53-24-14-23-49(58(53)59)42-29-33-45(34-30-42)61(46-35-36-52-50-19-7-9-26-55(50)60(56(52)39-46)37-10-11-38-60)44-31-27-41(28-32-44)48-22-13-18-43-17-12-21-47(57(43)48)40-15-4-3-5-16-40/h3-9,12-36,39H,10-11,37-38H2,1-2H3
• InChIKey: QCYLQKXBFMEYCY-UHFFFAOYSA-N
• XLogP: 16.46
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.04
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?

The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine (CID 170216024) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine.

What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?

The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)cc3)c21.

What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?

The InChIKey is QCYLQKXBFMEYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47N/c1-59(2)54-25-8-6-20-51(54)53-24-14-23-49(58(53)59)42-29-33-45(34-30-42)61(46-35-36-52-50-19-7-9-26-55(50)60(56(52)39-46)37-10-11-38-60)44-31-27-41(28-32-44)48-22-13-18-43-17-12-21-47(57(43)48)40-15-4-3-5-16-40/h3-9,12-36,39H,10-11,37-38H2,1-2H3.

What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine has a molecular weight of 782.04 g/mol, XLogP of 16.46, 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-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 170216024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).