15-methyl-5-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide

C44H29N2OP — CID 122486677

About 15-methyl-5-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide

15-methyl-5-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide (PubChem CID 122486677) has the molecular formula C44H29N2OP and a molecular weight of 632.70 g/mol. Its IUPAC name is 15-methyl-5-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide.

Molecular Properties

• Compound Name: 15-methyl-5-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
• PubChem CID: 122486677
• Molecular Formula: C44H29N2OP
• Molecular Weight: 632.70 g/mol
• Exact Mass: 632.20
• IUPAC Name: 15-methyl-5-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
• SMILES: Cc1nc2cccc3c2n1-c1ccc(-c2c4ccccc4c(-c4cccc5ccccc45)c4ccccc24)cc1P3(=O)c1ccccc1
• InChI: InChI=1S/C44H29N2OP/c1-28-45-38-23-12-24-40-44(38)46(28)39-26-25-30(27-41(39)48(40,47)31-15-3-2-4-16-31)42-34-18-7-9-20-36(34)43(37-21-10-8-19-35(37)42)33-22-11-14-29-13-5-6-17-32(29)33/h2-27H,1H3
• InChIKey: SRZONMUONUHPSP-UHFFFAOYSA-N
• XLogP: 10.08
• TPSA: 34.89 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.70
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-methyl-5-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide?

The IUPAC name of 15-methyl-5-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide (CID 122486677) is 15-methyl-5-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide.

What is the SMILES notation for 15-methyl-5-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide?

The canonical SMILES for 15-methyl-5-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide is Cc1nc2cccc3c2n1-c1ccc(-c2c4ccccc4c(-c4cccc5ccccc45)c4ccccc24)cc1P3(=O)c1ccccc1.

What is the InChIKey of 15-methyl-5-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide?

The InChIKey is SRZONMUONUHPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N2OP/c1-28-45-38-23-12-24-40-44(38)46(28)39-26-25-30(27-41(39)48(40,47)31-15-3-2-4-16-31)42-34-18-7-9-20-36(34)43(37-21-10-8-19-35(37)42)33-22-11-14-29-13-5-6-17-32(29)33/h2-27H,1H3.

What are the key properties of 15-methyl-5-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide?

15-methyl-5-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide has a molecular weight of 632.70 g/mol, XLogP of 10.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 15-methyl-5-(10-naphthalen-1-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide is sourced from PubChem (CID 122486677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).