N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine

C41H27N3 — CID 90306406

About N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine

N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine (PubChem CID 90306406) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine.

Molecular Properties

• Compound Name: N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
• PubChem CID: 90306406
• Molecular Formula: C41H27N3
• Molecular Weight: 561.69 g/mol
• Exact Mass: 561.22
• IUPAC Name: N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
• SMILES: c1ccc(N(c2ccc(-c3cccc4cccnc34)cc2)c2ccc3c4c2ccc2cccc(c24)n3-c2ccccc2)cc1
• InChI: InChI=1S/C41H27N3/c1-3-13-31(14-4-1)43(33-22-19-28(20-23-33)34-17-7-11-30-12-9-27-42-41(30)34)36-25-26-38-40-35(36)24-21-29-10-8-18-37(39(29)40)44(38)32-15-5-2-6-16-32/h1-27H
• InChIKey: HIXJZQIQBNKUAH-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.69
LogP ≤ 5	11.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine?

The IUPAC name of N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine (CID 90306406) is N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine.

What is the SMILES notation for N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine?

The canonical SMILES for N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine is c1ccc(N(c2ccc(-c3cccc4cccnc34)cc2)c2ccc3c4c2ccc2cccc(c24)n3-c2ccccc2)cc1.

What is the InChIKey of N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine?

The InChIKey is HIXJZQIQBNKUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-3-13-31(14-4-1)43(33-22-19-28(20-23-33)34-17-7-11-30-12-9-27-42-41(30)34)36-25-26-38-40-35(36)24-21-29-10-8-18-37(39(29)40)44(38)32-15-5-2-6-16-32/h1-27H.

What are the key properties of N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine?

N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine has a molecular weight of 561.69 g/mol, XLogP of 11.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine is sourced from PubChem (CID 90306406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).