N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine

C50H33NO2 — CID 166986775

About N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine

N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine (PubChem CID 166986775) has the molecular formula C50H33NO2 and a molecular weight of 679.82 g/mol. Its IUPAC name is N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine.

Molecular Properties

• Compound Name: N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine
• PubChem CID: 166986775
• Molecular Formula: C50H33NO2
• Molecular Weight: 679.82 g/mol
• Exact Mass: 679.25
• IUPAC Name: N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)Oc4cccc6cccc(c46)O5)c4ccc(-c5ccccc5)c5ccccc45)cc3)cc2)cc1
• InChI: InChI=1S/C50H33NO2/c1-3-11-34(12-4-1)35-21-23-36(24-22-35)37-25-27-40(28-26-37)51(45-31-30-42(38-13-5-2-6-14-38)43-17-7-8-18-44(43)45)41-29-32-46-49(33-41)53-48-20-10-16-39-15-9-19-47(52-46)50(39)48/h1-33H
• InChIKey: DVXWSVIGPWYALP-UHFFFAOYSA-N
• XLogP: 14.36
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.82
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine?

The IUPAC name of N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine (CID 166986775) is N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine.

What is the SMILES notation for N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine?

The canonical SMILES for N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)Oc4cccc6cccc(c46)O5)c4ccc(-c5ccccc5)c5ccccc45)cc3)cc2)cc1.

What is the InChIKey of N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine?

The InChIKey is DVXWSVIGPWYALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO2/c1-3-11-34(12-4-1)35-21-23-36(24-22-35)37-25-27-40(28-26-37)51(45-31-30-42(38-13-5-2-6-14-38)43-17-7-8-18-44(43)45)41-29-32-46-49(33-41)53-48-20-10-16-39-15-9-19-47(52-46)50(39)48/h1-33H.

What are the key properties of N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine?

N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine has a molecular weight of 679.82 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine is sourced from PubChem (CID 166986775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).