15-methyl-5-[naphthalen-2-yl(phenyl)phosphoryl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

C30H21N2O2P — CID 122469321

About 15-methyl-5-[naphthalen-2-yl(phenyl)phosphoryl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

15-methyl-5-[naphthalen-2-yl(phenyl)phosphoryl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (PubChem CID 122469321) has the molecular formula C30H21N2O2P and a molecular weight of 472.48 g/mol. Its IUPAC name is 15-methyl-5-[naphthalen-2-yl(phenyl)phosphoryl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene.

Molecular Properties

• Compound Name: 15-methyl-5-[naphthalen-2-yl(phenyl)phosphoryl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
• PubChem CID: 122469321
• Molecular Formula: C30H21N2O2P
• Molecular Weight: 472.48 g/mol
• Exact Mass: 472.13
• IUPAC Name: 15-methyl-5-[naphthalen-2-yl(phenyl)phosphoryl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
• SMILES: Cc1nc2cccc3c2n1-c1ccc(P(=O)(c2ccccc2)c2ccc4ccccc4c2)cc1O3
• InChI: InChI=1S/C30H21N2O2P/c1-20-31-26-12-7-13-28-30(26)32(20)27-17-16-25(19-29(27)34-28)35(33,23-10-3-2-4-11-23)24-15-14-21-8-5-6-9-22(21)18-24/h2-19H,1H3
• InChIKey: IHLJZTQGDKYKAS-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 44.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.48
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-methyl-5-[naphthalen-2-yl(phenyl)phosphoryl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The IUPAC name of 15-methyl-5-[naphthalen-2-yl(phenyl)phosphoryl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (CID 122469321) is 15-methyl-5-[naphthalen-2-yl(phenyl)phosphoryl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene.

What is the SMILES notation for 15-methyl-5-[naphthalen-2-yl(phenyl)phosphoryl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The canonical SMILES for 15-methyl-5-[naphthalen-2-yl(phenyl)phosphoryl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is Cc1nc2cccc3c2n1-c1ccc(P(=O)(c2ccccc2)c2ccc4ccccc4c2)cc1O3.

What is the InChIKey of 15-methyl-5-[naphthalen-2-yl(phenyl)phosphoryl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The InChIKey is IHLJZTQGDKYKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N2O2P/c1-20-31-26-12-7-13-28-30(26)32(20)27-17-16-25(19-29(27)34-28)35(33,23-10-3-2-4-11-23)24-15-14-21-8-5-6-9-22(21)18-24/h2-19H,1H3.

What are the key properties of 15-methyl-5-[naphthalen-2-yl(phenyl)phosphoryl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

15-methyl-5-[naphthalen-2-yl(phenyl)phosphoryl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene has a molecular weight of 472.48 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15-methyl-5-[naphthalen-2-yl(phenyl)phosphoryl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is sourced from PubChem (CID 122469321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).