3,5,5,8,8-pentamethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydronaphthalen-2-amine

C51H45N — CID 174294093

About 3,5,5,8,8-pentamethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydronaphthalen-2-amine

3,5,5,8,8-pentamethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydronaphthalen-2-amine (PubChem CID 174294093) has the molecular formula C51H45N and a molecular weight of 671.93 g/mol. Its IUPAC name is 3,5,5,8,8-pentamethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydronaphthalen-2-amine.

Molecular Properties

• Compound Name: 3,5,5,8,8-pentamethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydronaphthalen-2-amine
• PubChem CID: 174294093
• Molecular Formula: C51H45N
• Molecular Weight: 671.93 g/mol
• Exact Mass: 671.36
• IUPAC Name: 3,5,5,8,8-pentamethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydronaphthalen-2-amine
• SMILES: Cc1cc2c(cc1N(c1ccc(-c3ccc4ccccc4c3)cc1)c1ccc(-c3cc4ccccc4c4ccccc34)cc1)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C51H45N/c1-34-30-47-48(51(4,5)29-28-50(47,2)3)33-49(34)52(41-24-20-36(21-25-41)39-19-18-35-12-6-7-13-38(35)31-39)42-26-22-37(23-27-42)46-32-40-14-8-9-15-43(40)44-16-10-11-17-45(44)46/h6-27,30-33H,28-29H2,1-5H3
• InChIKey: OILSPLDKXANCAW-UHFFFAOYSA-N
• XLogP: 14.61
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.93
LogP ≤ 5	14.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5,5,8,8-pentamethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydronaphthalen-2-amine?

The IUPAC name of 3,5,5,8,8-pentamethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydronaphthalen-2-amine (CID 174294093) is 3,5,5,8,8-pentamethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydronaphthalen-2-amine.

What is the SMILES notation for 3,5,5,8,8-pentamethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydronaphthalen-2-amine?

The canonical SMILES for 3,5,5,8,8-pentamethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydronaphthalen-2-amine is Cc1cc2c(cc1N(c1ccc(-c3ccc4ccccc4c3)cc1)c1ccc(-c3cc4ccccc4c4ccccc34)cc1)C(C)(C)CCC2(C)C.

What is the InChIKey of 3,5,5,8,8-pentamethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydronaphthalen-2-amine?

The InChIKey is OILSPLDKXANCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45N/c1-34-30-47-48(51(4,5)29-28-50(47,2)3)33-49(34)52(41-24-20-36(21-25-41)39-19-18-35-12-6-7-13-38(35)31-39)42-26-22-37(23-27-42)46-32-40-14-8-9-15-43(40)44-16-10-11-17-45(44)46/h6-27,30-33H,28-29H2,1-5H3.

What are the key properties of 3,5,5,8,8-pentamethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydronaphthalen-2-amine?

3,5,5,8,8-pentamethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydronaphthalen-2-amine has a molecular weight of 671.93 g/mol, XLogP of 14.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5,5,8,8-pentamethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 174294093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).