N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine

C52H35NO — CID 176598441

About N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine

N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine (PubChem CID 176598441) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine
• PubChem CID: 176598441
• Molecular Formula: C52H35NO
• Molecular Weight: 689.86 g/mol
• Exact Mass: 689.27
• IUPAC Name: N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3cc(-c5ccccc5)ccc3-c3c(-c5ccccc5)cccc3-4)c3ccc4ccccc4c3)cc2)cc1
• InChI: InChI=1S/C52H35NO/c1-4-13-36(14-5-1)39-23-27-43(28-24-39)53(44-29-25-38-17-10-11-20-41(38)33-44)45-30-32-47-48-22-12-21-46(40-18-8-3-9-19-40)52(48)49-31-26-42(37-15-6-2-7-16-37)34-50(49)54-51(47)35-45/h1-35H
• InChIKey: XUQBFQRWWDKPIR-UHFFFAOYSA-N
• XLogP: 14.75
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.86
LogP ≤ 5	14.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine?

The IUPAC name of N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine (CID 176598441) is N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine.

What is the SMILES notation for N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine?

The canonical SMILES for N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3cc(-c5ccccc5)ccc3-c3c(-c5ccccc5)cccc3-4)c3ccc4ccccc4c3)cc2)cc1.

What is the InChIKey of N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine?

The InChIKey is XUQBFQRWWDKPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-13-36(14-5-1)39-23-27-43(28-24-39)53(44-29-25-38-17-10-11-20-41(38)33-44)45-30-32-47-48-22-12-21-46(40-18-8-3-9-19-40)52(48)49-31-26-42(37-15-6-2-7-16-37)34-50(49)54-51(47)35-45/h1-35H.

What are the key properties of N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine?

N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine has a molecular weight of 689.86 g/mol, XLogP of 14.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine is sourced from PubChem (CID 176598441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).