N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine

C67H51NO — CID 170217892

About N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine

N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine (PubChem CID 170217892) has the molecular formula C67H51NO and a molecular weight of 886.15 g/mol. Its IUPAC name is N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
• PubChem CID: 170217892
• Molecular Formula: C67H51NO
• Molecular Weight: 886.15 g/mol
• Exact Mass: 885.40
• IUPAC Name: N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
• SMILES: CC1(C)c2ccccc2-c2cccc(-c3ccccc3-c3ccc(N(c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)cc3)c21
• InChI: InChI=1S/C67H51NO/c1-66(2)59-28-10-8-24-54(59)57-27-15-26-56(64(57)66)52-22-7-6-20-49(52)44-31-34-46(35-32-44)68(48-36-38-55-53-23-9-11-29-60(53)67(61(55)42-48)39-12-3-13-40-67)47-19-14-18-45(41-47)50-25-16-30-62-63(50)58-37-33-43-17-4-5-21-51(43)65(58)69-62/h4-11,14-38,41-42H,3,12-13,39-40H2,1-2H3
• InChIKey: UXPROSAKECAHMC-UHFFFAOYSA-N
• XLogP: 18.75
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.15
LogP ≤ 5	18.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine?

The IUPAC name of N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine (CID 170217892) is N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine.

What is the SMILES notation for N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine?

The canonical SMILES for N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cccc(-c3ccccc3-c3ccc(N(c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)cc3)c21.

What is the InChIKey of N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine?

The InChIKey is UXPROSAKECAHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H51NO/c1-66(2)59-28-10-8-24-54(59)57-27-15-26-56(64(57)66)52-22-7-6-20-49(52)44-31-34-46(35-32-44)68(48-36-38-55-53-23-9-11-29-60(53)67(61(55)42-48)39-12-3-13-40-67)47-19-14-18-45(41-47)50-25-16-30-62-63(50)58-37-33-43-17-4-5-21-51(43)65(58)69-62/h4-11,14-38,41-42H,3,12-13,39-40H2,1-2H3.

What are the key properties of N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine?

N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine has a molecular weight of 886.15 g/mol, XLogP of 18.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 170217892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).