(2R,3S,8R,10R)-2-(1-hydroxynaphthalen-2-yl)-3,5,6,8-tetramethyl-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone

C34H31N3O5 — CID 6641418

About (2R,3S,8R,10R)-2-(1-hydroxynaphthalen-2-yl)-3,5,6,8-tetramethyl-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone

(2R,3S,8R,10R)-2-(1-hydroxynaphthalen-2-yl)-3,5,6,8-tetramethyl-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone (PubChem CID 6641418) has the molecular formula C34H31N3O5 and a molecular weight of 561.64 g/mol. Its IUPAC name is (2R,3S,8R,10R)-2-(1-hydroxynaphthalen-2-yl)-3,5,6,8-tetramethyl-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone.

Molecular Properties

• Compound Name: (2R,3S,8R,10R)-2-(1-hydroxynaphthalen-2-yl)-3,5,6,8-tetramethyl-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone
• PubChem CID: 6641418
• Molecular Formula: C34H31N3O5
• Molecular Weight: 561.64 g/mol
• Exact Mass: 561.23
• IUPAC Name: (2R,3S,8R,10R)-2-(1-hydroxynaphthalen-2-yl)-3,5,6,8-tetramethyl-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone
• SMILES: CC1=C(C)C(=O)[C@@]2(C)[C@@H](c3ccc4ccccc4c3O)C3=CCn4c(=O)n(-c5ccccc5)c(=O)n4[C@@H]3C[C@@]2(C)C1=O
• InChI: InChI=1S/C34H31N3O5/c1-19-20(2)30(40)34(4)27(25-15-14-21-10-8-9-13-23(21)28(25)38)24-16-17-35-31(41)36(22-11-6-5-7-12-22)32(42)37(35)26(24)18-33(34,3)29(19)39/h5-16,26-27,38H,17-18H2,1-4H3/t26-,27-,33+,34-/m1/s1
• InChIKey: DDMNAIAUVWEZAR-VHLJGYRNSA-N
• XLogP: 4.83
• TPSA: 103.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.64
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,8R,10R)-2-(1-hydroxynaphthalen-2-yl)-3,5,6,8-tetramethyl-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone?

The IUPAC name of (2R,3S,8R,10R)-2-(1-hydroxynaphthalen-2-yl)-3,5,6,8-tetramethyl-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone (CID 6641418) is (2R,3S,8R,10R)-2-(1-hydroxynaphthalen-2-yl)-3,5,6,8-tetramethyl-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone.

What is the SMILES notation for (2R,3S,8R,10R)-2-(1-hydroxynaphthalen-2-yl)-3,5,6,8-tetramethyl-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone?

The canonical SMILES for (2R,3S,8R,10R)-2-(1-hydroxynaphthalen-2-yl)-3,5,6,8-tetramethyl-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone is CC1=C(C)C(=O)[C@@]2(C)[C@@H](c3ccc4ccccc4c3O)C3=CCn4c(=O)n(-c5ccccc5)c(=O)n4[C@@H]3C[C@@]2(C)C1=O.

What is the InChIKey of (2R,3S,8R,10R)-2-(1-hydroxynaphthalen-2-yl)-3,5,6,8-tetramethyl-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone?

The InChIKey is DDMNAIAUVWEZAR-VHLJGYRNSA-N. The full InChI is InChI=1S/C34H31N3O5/c1-19-20(2)30(40)34(4)27(25-15-14-21-10-8-9-13-23(21)28(25)38)24-16-17-35-31(41)36(22-11-6-5-7-12-22)32(42)37(35)26(24)18-33(34,3)29(19)39/h5-16,26-27,38H,17-18H2,1-4H3/t26-,27-,33+,34-/m1/s1.

What are the key properties of (2R,3S,8R,10R)-2-(1-hydroxynaphthalen-2-yl)-3,5,6,8-tetramethyl-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone?

(2R,3S,8R,10R)-2-(1-hydroxynaphthalen-2-yl)-3,5,6,8-tetramethyl-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone has a molecular weight of 561.64 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,8R,10R)-2-(1-hydroxynaphthalen-2-yl)-3,5,6,8-tetramethyl-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone is sourced from PubChem (CID 6641418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).