N-(4-tert-butyl-2-phenylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-12-azahexacyclo[10.10.1.12,6.17,11.013,18.019,23]pentacosa-1(22),2,4,6(25),7(24),8,10,13,15,17,19(23),20-dodecaen-3-amine

C62H46N2 — CID 170297192

About N-(4-tert-butyl-2-phenylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-12-azahexacyclo[10.10.1.12,6.17,11.013,18.019,23]pentacosa-1(22),2,4,6(25),7(24),8,10,13,15,17,19(23),20-dodecaen-3-amine

N-(4-tert-butyl-2-phenylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-12-azahexacyclo[10.10.1.12,6.17,11.013,18.019,23]pentacosa-1(22),2,4,6(25),7(24),8,10,13,15,17,19(23),20-dodecaen-3-amine (PubChem CID 170297192) has the molecular formula C62H46N2 and a molecular weight of 819.06 g/mol. Its IUPAC name is N-(4-tert-butyl-2-phenylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-12-azahexacyclo[10.10.1.12,6.17,11.013,18.019,23]pentacosa-1(22),2,4,6(25),7(24),8,10,13,15,17,19(23),20-dodecaen-3-amine.

Molecular Properties

• Compound Name: N-(4-tert-butyl-2-phenylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-12-azahexacyclo[10.10.1.12,6.17,11.013,18.019,23]pentacosa-1(22),2,4,6(25),7(24),8,10,13,15,17,19(23),20-dodecaen-3-amine
• PubChem CID: 170297192
• Molecular Formula: C62H46N2
• Molecular Weight: 819.06 g/mol
• Exact Mass: 818.37
• IUPAC Name: N-(4-tert-butyl-2-phenylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-12-azahexacyclo[10.10.1.12,6.17,11.013,18.019,23]pentacosa-1(22),2,4,6(25),7(24),8,10,13,15,17,19(23),20-dodecaen-3-amine
• SMILES: CC(C)(C)c1ccc(N(c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c2ccc3cc2c2cccc4c5ccccc5n(c5cccc3c5)c24)c(-c2ccccc2)c1
• InChI: InChI=1S/C62H46N2/c1-62(2,3)46-35-37-58(54(40-46)42-20-8-5-9-21-42)64(57-33-13-10-26-49(57)51-29-16-23-43-22-15-28-48(60(43)51)41-18-6-4-7-19-41)59-36-34-45-39-55(59)53-31-17-30-52-50-27-11-12-32-56(50)63(61(52)53)47-25-14-24-44(45)38-47/h4-40H,1-3H3
• InChIKey: GKKQZGCRNBQFHX-UHFFFAOYSA-N
• XLogP: 17.47
• TPSA: 7.65 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.06
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-phenylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-12-azahexacyclo[10.10.1.12,6.17,11.013,18.019,23]pentacosa-1(22),2,4,6(25),7(24),8,10,13,15,17,19(23),20-dodecaen-3-amine?

The IUPAC name of N-(4-tert-butyl-2-phenylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-12-azahexacyclo[10.10.1.12,6.17,11.013,18.019,23]pentacosa-1(22),2,4,6(25),7(24),8,10,13,15,17,19(23),20-dodecaen-3-amine (CID 170297192) is N-(4-tert-butyl-2-phenylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-12-azahexacyclo[10.10.1.12,6.17,11.013,18.019,23]pentacosa-1(22),2,4,6(25),7(24),8,10,13,15,17,19(23),20-dodecaen-3-amine.

What is the SMILES notation for N-(4-tert-butyl-2-phenylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-12-azahexacyclo[10.10.1.12,6.17,11.013,18.019,23]pentacosa-1(22),2,4,6(25),7(24),8,10,13,15,17,19(23),20-dodecaen-3-amine?

The canonical SMILES for N-(4-tert-butyl-2-phenylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-12-azahexacyclo[10.10.1.12,6.17,11.013,18.019,23]pentacosa-1(22),2,4,6(25),7(24),8,10,13,15,17,19(23),20-dodecaen-3-amine is CC(C)(C)c1ccc(N(c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c2ccc3cc2c2cccc4c5ccccc5n(c5cccc3c5)c24)c(-c2ccccc2)c1.

What is the InChIKey of N-(4-tert-butyl-2-phenylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-12-azahexacyclo[10.10.1.12,6.17,11.013,18.019,23]pentacosa-1(22),2,4,6(25),7(24),8,10,13,15,17,19(23),20-dodecaen-3-amine?

The InChIKey is GKKQZGCRNBQFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2/c1-62(2,3)46-35-37-58(54(40-46)42-20-8-5-9-21-42)64(57-33-13-10-26-49(57)51-29-16-23-43-22-15-28-48(60(43)51)41-18-6-4-7-19-41)59-36-34-45-39-55(59)53-31-17-30-52-50-27-11-12-32-56(50)63(61(52)53)47-25-14-24-44(45)38-47/h4-40H,1-3H3.

What are the key properties of N-(4-tert-butyl-2-phenylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-12-azahexacyclo[10.10.1.12,6.17,11.013,18.019,23]pentacosa-1(22),2,4,6(25),7(24),8,10,13,15,17,19(23),20-dodecaen-3-amine?

N-(4-tert-butyl-2-phenylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-12-azahexacyclo[10.10.1.12,6.17,11.013,18.019,23]pentacosa-1(22),2,4,6(25),7(24),8,10,13,15,17,19(23),20-dodecaen-3-amine has a molecular weight of 819.06 g/mol, XLogP of 17.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butyl-2-phenylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-12-azahexacyclo[10.10.1.12,6.17,11.013,18.019,23]pentacosa-1(22),2,4,6(25),7(24),8,10,13,15,17,19(23),20-dodecaen-3-amine is sourced from PubChem (CID 170297192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).