N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine

C50H29NO3 — CID 164998659

About N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine

N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine (PubChem CID 164998659) has the molecular formula C50H29NO3 and a molecular weight of 691.79 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
• PubChem CID: 164998659
• Molecular Formula: C50H29NO3
• Molecular Weight: 691.79 g/mol
• Exact Mass: 691.21
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
• SMILES: c1ccc2c(-c3ccc(N(c4ccc5c(c4)oc4ccc6ccccc6c45)c4cccc5c4oc4c5ccc5oc6ccccc6c54)cc3)cccc2c1
• InChI: InChI=1S/C50H29NO3/c1-3-12-35-30(9-1)11-7-15-36(35)32-19-22-33(23-20-32)51(34-24-25-41-46(29-34)53-44-27-21-31-10-2-4-13-37(31)47(41)44)42-17-8-16-38-39-26-28-45-48(50(39)54-49(38)42)40-14-5-6-18-43(40)52-45/h1-29H
• InChIKey: NWEIQSUTKLNTDP-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 42.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.79
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine (CID 164998659) is N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine is c1ccc2c(-c3ccc(N(c4ccc5c(c4)oc4ccc6ccccc6c45)c4cccc5c4oc4c5ccc5oc6ccccc6c54)cc3)cccc2c1.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine?

The InChIKey is NWEIQSUTKLNTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29NO3/c1-3-12-35-30(9-1)11-7-15-36(35)32-19-22-33(23-20-32)51(34-24-25-41-46(29-34)53-44-27-21-31-10-2-4-13-37(31)47(41)44)42-17-8-16-38-39-26-28-45-48(50(39)54-49(38)42)40-14-5-6-18-43(40)52-45/h1-29H.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine?

N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine has a molecular weight of 691.79 g/mol, XLogP of 14.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine is sourced from PubChem (CID 164998659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).