5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine

C54H37NO — CID 176598412

About 5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine

5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine (PubChem CID 176598412) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is 5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine.

Molecular Properties

• Compound Name: 5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine
• PubChem CID: 176598412
• Molecular Formula: C54H37NO
• Molecular Weight: 715.90 g/mol
• Exact Mass: 715.29
• IUPAC Name: 5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3-c3ccc(-c5ccccc5)cc3O4)cc2)cc1
• InChI: InChI=1S/C54H37NO/c1-5-13-38(14-6-1)42-21-27-46(28-22-42)55(47-29-23-43(24-30-47)39-15-7-2-8-16-39)48-31-34-53-52(37-48)51-35-44(40-17-9-3-10-18-40)25-32-49(51)50-33-26-45(36-54(50)56-53)41-19-11-4-12-20-41/h1-37H
• InChIKey: LEVXPHAYEFTAIF-UHFFFAOYSA-N
• XLogP: 15.26
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.90
LogP ≤ 5	15.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine?

The IUPAC name of 5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine (CID 176598412) is 5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine.

What is the SMILES notation for 5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine?

The canonical SMILES for 5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3-c3ccc(-c5ccccc5)cc3O4)cc2)cc1.

What is the InChIKey of 5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine?

The InChIKey is LEVXPHAYEFTAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-5-13-38(14-6-1)42-21-27-46(28-22-42)55(47-29-23-43(24-30-47)39-15-7-2-8-16-39)48-31-34-53-52(37-48)51-35-44(40-17-9-3-10-18-40)25-32-49(51)50-33-26-45(36-54(50)56-53)41-19-11-4-12-20-41/h1-37H.

What are the key properties of 5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine?

5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine has a molecular weight of 715.90 g/mol, XLogP of 15.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine is sourced from PubChem (CID 176598412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).