N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline

C67H46N2 — CID 169023136

About N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline

N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline (PubChem CID 169023136) has the molecular formula C67H46N2 and a molecular weight of 879.12 g/mol. Its IUPAC name is N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline.

Molecular Properties

• Compound Name: N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
• PubChem CID: 169023136
• Molecular Formula: C67H46N2
• Molecular Weight: 879.12 g/mol
• Exact Mass: 878.37
• IUPAC Name: N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
• SMILES: CC1(C)c2cc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc3c2-c2c1ccc1c4ccccc4n(c21)-c1ccccc1-3
• InChI: InChI=1S/C67H46N2/c1-67(2)60-37-36-58-56-23-11-13-26-62(56)69-63-27-14-12-24-57(63)59-41-50(42-61(67)64(59)65(60)66(58)69)45-28-32-51(33-29-45)68(52-34-30-47(31-35-52)55-25-15-21-46-20-9-10-22-54(46)55)53-39-48(43-16-5-3-6-17-43)38-49(40-53)44-18-7-4-8-19-44/h3-42H,1-2H3
• InChIKey: HUXIUJDHFLDEQL-UHFFFAOYSA-N
• XLogP: 18.36
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.12
LogP ≤ 5	18.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline?

The IUPAC name of N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline (CID 169023136) is N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline.

What is the SMILES notation for N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline?

The canonical SMILES for N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline is CC1(C)c2cc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc3c2-c2c1ccc1c4ccccc4n(c21)-c1ccccc1-3.

What is the InChIKey of N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline?

The InChIKey is HUXIUJDHFLDEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2/c1-67(2)60-37-36-58-56-23-11-13-26-62(56)69-63-27-14-12-24-57(63)59-41-50(42-61(67)64(59)65(60)66(58)69)45-28-32-51(33-29-45)68(52-34-30-47(31-35-52)55-25-15-21-46-20-9-10-22-54(46)55)53-39-48(43-16-5-3-6-17-43)38-49(40-53)44-18-7-4-8-19-44/h3-42H,1-2H3.

What are the key properties of N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline?

N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline has a molecular weight of 879.12 g/mol, XLogP of 18.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline is sourced from PubChem (CID 169023136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).