N-[4-[4-(N-[4-[4-[5-(4-methoxynaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]naphthalen-1-yl]oxyphenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline

C60H44N4O3 — CID 20717412

About N-[4-[4-(N-[4-[4-[5-(4-methoxynaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]naphthalen-1-yl]oxyphenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline

N-[4-[4-(N-[4-[4-[5-(4-methoxynaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]naphthalen-1-yl]oxyphenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline (PubChem CID 20717412) has the molecular formula C60H44N4O3 and a molecular weight of 869.04 g/mol. Its IUPAC name is N-[4-[4-(N-[4-[4-[5-(4-methoxynaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]naphthalen-1-yl]oxyphenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline.

Molecular Properties

• Compound Name: N-[4-[4-(N-[4-[4-[5-(4-methoxynaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]naphthalen-1-yl]oxyphenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline
• PubChem CID: 20717412
• Molecular Formula: C60H44N4O3
• Molecular Weight: 869.04 g/mol
• Exact Mass: 868.34
• IUPAC Name: N-[4-[4-(N-[4-[4-[5-(4-methoxynaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]naphthalen-1-yl]oxyphenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline
• SMILES: COc1ccc(-c2nnc(-c3ccc(Oc4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc(C)cc7)cc6)cc5)cc4)c4ccccc34)o2)c2ccccc12
• InChI: InChI=1S/C60H44N4O3/c1-41-21-27-46(28-22-41)63(44-13-5-3-6-14-44)47-29-23-42(24-30-47)43-25-31-48(32-26-43)64(45-15-7-4-8-16-45)49-33-35-50(36-34-49)66-58-40-38-56(52-18-10-12-20-54(52)58)60-62-61-59(67-60)55-37-39-57(65-2)53-19-11-9-17-51(53)55/h3-40H,1-2H3
• InChIKey: RTSFSVCLSFIDPH-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 63.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.04
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-[4-[4-[5-(4-methoxynaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]naphthalen-1-yl]oxyphenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline?

The IUPAC name of N-[4-[4-(N-[4-[4-[5-(4-methoxynaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]naphthalen-1-yl]oxyphenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline (CID 20717412) is N-[4-[4-(N-[4-[4-[5-(4-methoxynaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]naphthalen-1-yl]oxyphenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline.

What is the SMILES notation for N-[4-[4-(N-[4-[4-[5-(4-methoxynaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]naphthalen-1-yl]oxyphenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline?

The canonical SMILES for N-[4-[4-(N-[4-[4-[5-(4-methoxynaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]naphthalen-1-yl]oxyphenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline is COc1ccc(-c2nnc(-c3ccc(Oc4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc(C)cc7)cc6)cc5)cc4)c4ccccc34)o2)c2ccccc12.

What is the InChIKey of N-[4-[4-(N-[4-[4-[5-(4-methoxynaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]naphthalen-1-yl]oxyphenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline?

The InChIKey is RTSFSVCLSFIDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N4O3/c1-41-21-27-46(28-22-41)63(44-13-5-3-6-14-44)47-29-23-42(24-30-47)43-25-31-48(32-26-43)64(45-15-7-4-8-16-45)49-33-35-50(36-34-49)66-58-40-38-56(52-18-10-12-20-54(52)58)60-62-61-59(67-60)55-37-39-57(65-2)53-19-11-9-17-51(53)55/h3-40H,1-2H3.

What are the key properties of N-[4-[4-(N-[4-[4-[5-(4-methoxynaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]naphthalen-1-yl]oxyphenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline?

N-[4-[4-(N-[4-[4-[5-(4-methoxynaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]naphthalen-1-yl]oxyphenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline has a molecular weight of 869.04 g/mol, XLogP of 16.43, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(N-[4-[4-[5-(4-methoxynaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]naphthalen-1-yl]oxyphenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline is sourced from PubChem (CID 20717412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).