26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine

C64H42N2 — CID 167225426

About 26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine

26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine (PubChem CID 167225426) has the molecular formula C64H42N2 and a molecular weight of 839.05 g/mol. Its IUPAC name is 26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine.

Molecular Properties

• Compound Name: 26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine
• PubChem CID: 167225426
• Molecular Formula: C64H42N2
• Molecular Weight: 839.05 g/mol
• Exact Mass: 838.33
• IUPAC Name: 26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine
• SMILES: CC1(c2ccc3ccccc3c2)c2cccc3c2-c2c1cc(N(c1cccc(-c4ccccc4)c1)c1cccc(-c4ccc5ccccc5c4)c1)c1c4ccccc4n(c21)-c1ccccc1-3
• InChI: InChI=1S/C64H42N2/c1-64(49-35-34-43-19-6-8-21-45(43)37-49)55-29-15-28-53-52-26-9-11-30-57(52)66-58-31-12-10-27-54(58)61-59(40-56(64)62(60(53)55)63(61)66)65(50-24-13-22-46(38-50)41-16-3-2-4-17-41)51-25-14-23-47(39-51)48-33-32-42-18-5-7-20-44(42)36-48/h2-40H,1H3
• InChIKey: XWMGIEMTCYJNMS-UHFFFAOYSA-N
• XLogP: 17.21
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.05
LogP ≤ 5	17.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine?

The IUPAC name of 26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine (CID 167225426) is 26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine.

What is the SMILES notation for 26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine?

The canonical SMILES for 26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine is CC1(c2ccc3ccccc3c2)c2cccc3c2-c2c1cc(N(c1cccc(-c4ccccc4)c1)c1cccc(-c4ccc5ccccc5c4)c1)c1c4ccccc4n(c21)-c1ccccc1-3.

What is the InChIKey of 26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine?

The InChIKey is XWMGIEMTCYJNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2/c1-64(49-35-34-43-19-6-8-21-45(43)37-49)55-29-15-28-53-52-26-9-11-30-57(52)66-58-31-12-10-27-54(58)61-59(40-56(64)62(60(53)55)63(61)66)65(50-24-13-22-46(38-50)41-16-3-2-4-17-41)51-25-14-23-47(39-51)48-33-32-42-18-5-7-20-44(42)36-48/h2-40H,1H3.

What are the key properties of 26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine?

26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine has a molecular weight of 839.05 g/mol, XLogP of 17.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine is sourced from PubChem (CID 167225426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).