N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene-26,1'-cyclohexane]-16-amine

C58H42N2 — CID 169023388

About N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene-26,1'-cyclohexane]-16-amine

N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene-26,1'-cyclohexane]-16-amine (PubChem CID 169023388) has the molecular formula C58H42N2 and a molecular weight of 766.99 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene-26,1'-cyclohexane]-16-amine.

Molecular Properties

• Compound Name: N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene-26,1'-cyclohexane]-16-amine
• PubChem CID: 169023388
• Molecular Formula: C58H42N2
• Molecular Weight: 766.99 g/mol
• Exact Mass: 766.33
• IUPAC Name: N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene-26,1'-cyclohexane]-16-amine
• SMILES: c1ccc(-c2ccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3cccc4c5ccc6c7c5n(c34)-c3ccccc3-c3cccc(c3-7)C63CCCCC3)cc2)cc1
• InChI: InChI=1S/C58H42N2/c1-3-14-38(15-4-1)40-28-30-44(31-29-40)59(45-19-11-18-42(37-45)43-27-26-39-16-5-6-17-41(39)36-43)53-25-13-22-48-49-32-33-51-55-54-47(21-12-23-50(54)58(51)34-9-2-10-35-58)46-20-7-8-24-52(46)60(56(48)53)57(49)55/h1,3-8,11-33,36-37H,2,9-10,34-35H2
• InChIKey: IHLAHBYYVPACOC-UHFFFAOYSA-N
• XLogP: 15.95
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.99
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene-26,1'-cyclohexane]-16-amine?

The IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene-26,1'-cyclohexane]-16-amine (CID 169023388) is N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene-26,1'-cyclohexane]-16-amine.

What is the SMILES notation for N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene-26,1'-cyclohexane]-16-amine?

The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene-26,1'-cyclohexane]-16-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3cccc4c5ccc6c7c5n(c34)-c3ccccc3-c3cccc(c3-7)C63CCCCC3)cc2)cc1.

What is the InChIKey of N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene-26,1'-cyclohexane]-16-amine?

The InChIKey is IHLAHBYYVPACOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2/c1-3-14-38(15-4-1)40-28-30-44(31-29-40)59(45-19-11-18-42(37-45)43-27-26-39-16-5-6-17-41(39)36-43)53-25-13-22-48-49-32-33-51-55-54-47(21-12-23-50(54)58(51)34-9-2-10-35-58)46-20-7-8-24-52(46)60(56(48)53)57(49)55/h1,3-8,11-33,36-37H,2,9-10,34-35H2.

What are the key properties of N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene-26,1'-cyclohexane]-16-amine?

N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene-26,1'-cyclohexane]-16-amine has a molecular weight of 766.99 g/mol, XLogP of 15.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene-26,1'-cyclohexane]-16-amine is sourced from PubChem (CID 169023388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).