methyl 2-(4-methoxyphenyl)-6-methyl-8-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]piperazin-1-yl]-2-phenylnaphtho[2,1-h]chromene-5-carboxylate

C61H62N2O5 — CID 90418120

About methyl 2-(4-methoxyphenyl)-6-methyl-8-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]piperazin-1-yl]-2-phenylnaphtho[2,1-h]chromene-5-carboxylate

methyl 2-(4-methoxyphenyl)-6-methyl-8-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]piperazin-1-yl]-2-phenylnaphtho[2,1-h]chromene-5-carboxylate (PubChem CID 90418120) has the molecular formula C61H62N2O5 and a molecular weight of 903.18 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-6-methyl-8-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]piperazin-1-yl]-2-phenylnaphtho[2,1-h]chromene-5-carboxylate.

Molecular Properties

• Compound Name: methyl 2-(4-methoxyphenyl)-6-methyl-8-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]piperazin-1-yl]-2-phenylnaphtho[2,1-h]chromene-5-carboxylate
• PubChem CID: 90418120
• Molecular Formula: C61H62N2O5
• Molecular Weight: 903.18 g/mol
• Exact Mass: 902.47
• IUPAC Name: methyl 2-(4-methoxyphenyl)-6-methyl-8-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]piperazin-1-yl]-2-phenylnaphtho[2,1-h]chromene-5-carboxylate
• SMILES: CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCN(c5cc6c(C)c(C(=O)OC)c7c(c6c6ccccc56)OC(c5ccccc5)(c5ccc(OC)cc5)C=C7)CC4)cc3)cc2)CC1
• InChI: InChI=1S/C61H62N2O5/c1-5-6-8-13-42-18-20-43(21-19-42)44-22-24-45(25-23-44)46-26-28-47(29-27-46)59(64)63-38-36-62(37-39-63)55-40-54-41(2)56(60(65)67-4)53-34-35-61(48-14-9-7-10-15-48,49-30-32-50(66-3)33-31-49)68-58(53)57(54)52-17-12-11-16-51(52)55/h7,9-12,14-17,22-35,40,42-43H,5-6,8,13,18-21,36-39H2,1-4H3
• InChIKey: DPVNLKHBGVBZDR-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 68.31 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.18
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-6-methyl-8-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]piperazin-1-yl]-2-phenylnaphtho[2,1-h]chromene-5-carboxylate?

The IUPAC name of methyl 2-(4-methoxyphenyl)-6-methyl-8-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]piperazin-1-yl]-2-phenylnaphtho[2,1-h]chromene-5-carboxylate (CID 90418120) is methyl 2-(4-methoxyphenyl)-6-methyl-8-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]piperazin-1-yl]-2-phenylnaphtho[2,1-h]chromene-5-carboxylate.

What is the SMILES notation for methyl 2-(4-methoxyphenyl)-6-methyl-8-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]piperazin-1-yl]-2-phenylnaphtho[2,1-h]chromene-5-carboxylate?

The canonical SMILES for methyl 2-(4-methoxyphenyl)-6-methyl-8-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]piperazin-1-yl]-2-phenylnaphtho[2,1-h]chromene-5-carboxylate is CCCCCC1CCC(c2ccc(-c3ccc(C(=O)N4CCN(c5cc6c(C)c(C(=O)OC)c7c(c6c6ccccc56)OC(c5ccccc5)(c5ccc(OC)cc5)C=C7)CC4)cc3)cc2)CC1.

What is the InChIKey of methyl 2-(4-methoxyphenyl)-6-methyl-8-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]piperazin-1-yl]-2-phenylnaphtho[2,1-h]chromene-5-carboxylate?

The InChIKey is DPVNLKHBGVBZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H62N2O5/c1-5-6-8-13-42-18-20-43(21-19-42)44-22-24-45(25-23-44)46-26-28-47(29-27-46)59(64)63-38-36-62(37-39-63)55-40-54-41(2)56(60(65)67-4)53-34-35-61(48-14-9-7-10-15-48,49-30-32-50(66-3)33-31-49)68-58(53)57(54)52-17-12-11-16-51(52)55/h7,9-12,14-17,22-35,40,42-43H,5-6,8,13,18-21,36-39H2,1-4H3.

What are the key properties of methyl 2-(4-methoxyphenyl)-6-methyl-8-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]piperazin-1-yl]-2-phenylnaphtho[2,1-h]chromene-5-carboxylate?

methyl 2-(4-methoxyphenyl)-6-methyl-8-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]piperazin-1-yl]-2-phenylnaphtho[2,1-h]chromene-5-carboxylate has a molecular weight of 903.18 g/mol, XLogP of 13.93, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-(4-methoxyphenyl)-6-methyl-8-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]piperazin-1-yl]-2-phenylnaphtho[2,1-h]chromene-5-carboxylate is sourced from PubChem (CID 90418120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).