N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine

C55H38N2 — CID 168750833

About N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine

N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine (PubChem CID 168750833) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine.

Molecular Properties

• Compound Name: N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
• PubChem CID: 168750833
• Molecular Formula: C55H38N2
• Molecular Weight: 726.92 g/mol
• Exact Mass: 726.30
• IUPAC Name: N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5)c5ccccc5N(c5ccccc5)c5c(-c6ccccc6)ccc-4c53)cc2)cc1
• InChI: InChI=1S/C55H38N2/c1-6-18-39(19-7-1)40-30-32-45(33-31-40)56(43-24-12-4-13-25-43)46-34-35-48-49-37-36-47(41-20-8-2-9-21-41)54-53(49)55(51(48)38-46,42-22-10-3-11-23-42)50-28-16-17-29-52(50)57(54)44-26-14-5-15-27-44/h1-38H
• InChIKey: QCLIYQLFDYNOLN-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.92
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine?

The IUPAC name of N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine (CID 168750833) is N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine.

What is the SMILES notation for N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine?

The canonical SMILES for N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5)c5ccccc5N(c5ccccc5)c5c(-c6ccccc6)ccc-4c53)cc2)cc1.

What is the InChIKey of N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine?

The InChIKey is QCLIYQLFDYNOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-6-18-39(19-7-1)40-30-32-45(33-31-40)56(43-24-12-4-13-25-43)46-34-35-48-49-37-36-47(41-20-8-2-9-21-41)54-53(49)55(51(48)38-46,42-22-10-3-11-23-42)50-28-16-17-29-52(50)57(54)44-26-14-5-15-27-44/h1-38H.

What are the key properties of N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine?

N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine has a molecular weight of 726.92 g/mol, XLogP of 14.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine is sourced from PubChem (CID 168750833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).