N-[3-[11-[5-[2-(N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-4-phenylanilino)phenyl]-4-phenylnaphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

C100H64N2O2 — CID 174304156

About N-[3-[11-[5-[2-(N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-4-phenylanilino)phenyl]-4-phenylnaphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

N-[3-[11-[5-[2-(N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-4-phenylanilino)phenyl]-4-phenylnaphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 174304156) has the molecular formula C100H64N2O2 and a molecular weight of 1325.62 g/mol. Its IUPAC name is N-[3-[11-[5-[2-(N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-4-phenylanilino)phenyl]-4-phenylnaphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[3-[11-[5-[2-(N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-4-phenylanilino)phenyl]-4-phenylnaphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
• PubChem CID: 174304156
• Molecular Formula: C100H64N2O2
• Molecular Weight: 1325.62 g/mol
• Exact Mass: 1324.50
• IUPAC Name: N-[3-[11-[5-[2-(N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-4-phenylanilino)phenyl]-4-phenylnaphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
• SMILES: c1ccc(-c2ccc(N(c3cccc(-c4cc5c6c(cccc6c4)Oc4ccccc4-5)c3)c3ccccc3-c3cccc4cc(-c5cc6c7c(cc(-c8cccc(N(c9ccc(-c%10ccccc%10)cc9)c9cccc%10ccccc9%10)c8)cc7c5)-c5ccccc5O6)cc(-c5ccccc5)c34)cc2)cc1
• InChI: InChI=1S/C100H64N2O2/c1-4-23-65(24-5-1)67-47-51-80(52-48-67)101(92-43-21-30-69-29-10-11-37-84(69)92)82-35-19-32-72(60-82)76-57-79-58-78(64-97-100(79)91(63-76)87-40-14-17-45-95(87)104-97)77-55-73-33-20-41-88(98(73)89(61-77)70-27-8-3-9-28-70)85-38-12-15-42-93(85)102(81-53-49-68(50-54-81)66-25-6-2-7-26-66)83-36-18-31-71(59-83)75-56-74-34-22-46-96-99(74)90(62-75)86-39-13-16-44-94(86)103-96/h1-64H
• InChIKey: MVSODFJVQDCPMP-UHFFFAOYSA-N
• XLogP: 28.45
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1325.62
LogP ≤ 5	28.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[11-[5-[2-(N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-4-phenylanilino)phenyl]-4-phenylnaphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?

The IUPAC name of N-[3-[11-[5-[2-(N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-4-phenylanilino)phenyl]-4-phenylnaphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 174304156) is N-[3-[11-[5-[2-(N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-4-phenylanilino)phenyl]-4-phenylnaphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

What is the SMILES notation for N-[3-[11-[5-[2-(N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-4-phenylanilino)phenyl]-4-phenylnaphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?

The canonical SMILES for N-[3-[11-[5-[2-(N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-4-phenylanilino)phenyl]-4-phenylnaphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3cccc(-c4cc5c6c(cccc6c4)Oc4ccccc4-5)c3)c3ccccc3-c3cccc4cc(-c5cc6c7c(cc(-c8cccc(N(c9ccc(-c%10ccccc%10)cc9)c9cccc%10ccccc9%10)c8)cc7c5)-c5ccccc5O6)cc(-c5ccccc5)c34)cc2)cc1.

What is the InChIKey of N-[3-[11-[5-[2-(N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-4-phenylanilino)phenyl]-4-phenylnaphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?

The InChIKey is MVSODFJVQDCPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H64N2O2/c1-4-23-65(24-5-1)67-47-51-80(52-48-67)101(92-43-21-30-69-29-10-11-37-84(69)92)82-35-19-32-72(60-82)76-57-79-58-78(64-97-100(79)91(63-76)87-40-14-17-45-95(87)104-97)77-55-73-33-20-41-88(98(73)89(61-77)70-27-8-3-9-28-70)85-38-12-15-42-93(85)102(81-53-49-68(50-54-81)66-25-6-2-7-26-66)83-36-18-31-71(59-83)75-56-74-34-22-46-96-99(74)90(62-75)86-39-13-16-44-94(86)103-96/h1-64H.

What are the key properties of N-[3-[11-[5-[2-(N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-4-phenylanilino)phenyl]-4-phenylnaphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?

N-[3-[11-[5-[2-(N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-4-phenylanilino)phenyl]-4-phenylnaphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 1325.62 g/mol, XLogP of 28.45, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[11-[5-[2-(N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-4-phenylanilino)phenyl]-4-phenylnaphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 174304156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).