N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-2-ylspiro[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]-4'-amine

C67H42N2 — CID 135166404

About N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-2-ylspiro[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]-4'-amine

N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-2-ylspiro[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]-4'-amine (PubChem CID 135166404) has the molecular formula C67H42N2 and a molecular weight of 875.09 g/mol. Its IUPAC name is N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-2-ylspiro[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]-4'-amine.

Molecular Properties

• Compound Name: N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-2-ylspiro[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]-4'-amine
• PubChem CID: 135166404
• Molecular Formula: C67H42N2
• Molecular Weight: 875.09 g/mol
• Exact Mass: 874.33
• IUPAC Name: N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-2-ylspiro[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]-4'-amine
• SMILES: c1ccc(-c2cccc3ccccc23)c(-c2ccccc2N(c2ccc3c(ccc4ccccc43)c2)c2cccc3c2-c2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)c1
• InChI: InChI=1S/C67H42N2/c1-4-22-48-43(18-1)20-15-28-50(48)51-23-5-6-24-52(51)53-25-8-12-34-61(53)68(46-40-41-49-45(42-46)39-38-44-19-2-3-21-47(44)49)64-37-17-32-59-65(64)56-27-7-10-30-57(56)67(59)58-31-11-14-36-63(58)69-62-35-13-9-26-54(62)55-29-16-33-60(67)66(55)69/h1-42H
• InChIKey: RPYBIUDXBNFBAX-UHFFFAOYSA-N
• XLogP: 17.72
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.09
LogP ≤ 5	17.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-2-ylspiro[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]-4'-amine?

The IUPAC name of N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-2-ylspiro[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]-4'-amine (CID 135166404) is N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-2-ylspiro[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]-4'-amine.

What is the SMILES notation for N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-2-ylspiro[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]-4'-amine?

The canonical SMILES for N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-2-ylspiro[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]-4'-amine is c1ccc(-c2cccc3ccccc23)c(-c2ccccc2N(c2ccc3c(ccc4ccccc43)c2)c2cccc3c2-c2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)c1.

What is the InChIKey of N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-2-ylspiro[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]-4'-amine?

The InChIKey is RPYBIUDXBNFBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2/c1-4-22-48-43(18-1)20-15-28-50(48)51-23-5-6-24-52(51)53-25-8-12-34-61(53)68(46-40-41-49-45(42-46)39-38-44-19-2-3-21-47(44)49)64-37-17-32-59-65(64)56-27-7-10-30-57(56)67(59)58-31-11-14-36-63(58)69-62-35-13-9-26-54(62)55-29-16-33-60(67)66(55)69/h1-42H.

What are the key properties of N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-2-ylspiro[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]-4'-amine?

N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-2-ylspiro[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]-4'-amine has a molecular weight of 875.09 g/mol, XLogP of 17.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-2-ylspiro[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]-4'-amine is sourced from PubChem (CID 135166404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).