N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine

C65H42N2 — CID 135167378

About N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine

N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine (PubChem CID 135167378) has the molecular formula C65H42N2 and a molecular weight of 851.07 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine
• PubChem CID: 135167378
• Molecular Formula: C65H42N2
• Molecular Weight: 851.07 g/mol
• Exact Mass: 850.33
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine
• SMILES: c1ccc(-c2cccc(-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc1
• InChI: InChI=1S/C65H42N2/c1-2-17-43(18-3-1)46-21-14-22-47(41-46)52-24-7-11-32-61(52)66(48-37-35-45(36-38-48)51-27-15-20-44-19-4-5-23-50(44)51)49-39-40-58-56(42-49)53-25-6-9-29-57(53)65(58)59-30-10-13-34-63(59)67-62-33-12-8-26-54(62)55-28-16-31-60(65)64(55)67/h1-42H
• InChIKey: BZFSYJIIQAMIKE-UHFFFAOYSA-N
• XLogP: 17.08
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.07
LogP ≤ 5	17.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine (CID 135167378) is N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine is c1ccc(-c2cccc(-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc1.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine?

The InChIKey is BZFSYJIIQAMIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2/c1-2-17-43(18-3-1)46-21-14-22-47(41-46)52-24-7-11-32-61(52)66(48-37-35-45(36-38-48)51-27-15-20-44-19-4-5-23-50(44)51)49-39-40-58-56(42-49)53-25-6-9-29-57(53)65(58)59-30-10-13-34-63(59)67-62-33-12-8-26-54(62)55-28-16-31-60(65)64(55)67/h1-42H.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine?

N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine has a molecular weight of 851.07 g/mol, XLogP of 17.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine is sourced from PubChem (CID 135167378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).