15-benzo[g]quinolin-5-yl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide

C32H20N3OP — CID 122486861

About 15-benzo[g]quinolin-5-yl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide

15-benzo[g]quinolin-5-yl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide (PubChem CID 122486861) has the molecular formula C32H20N3OP and a molecular weight of 493.51 g/mol. Its IUPAC name is 15-benzo[g]quinolin-5-yl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide.

Molecular Properties

• Compound Name: 15-benzo[g]quinolin-5-yl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide
• PubChem CID: 122486861
• Molecular Formula: C32H20N3OP
• Molecular Weight: 493.51 g/mol
• Exact Mass: 493.13
• IUPAC Name: 15-benzo[g]quinolin-5-yl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide
• SMILES: O=P1(c2ccccc2)c2ccccc2-n2c(-c3c4ccccc4cc4ncccc34)nc3cccc1c32
• InChI: InChI=1S/C32H20N3OP/c36-37(22-11-2-1-3-12-22)28-17-7-6-16-27(28)35-31-25(15-8-18-29(31)37)34-32(35)30-23-13-5-4-10-21(23)20-26-24(30)14-9-19-33-26/h1-20H
• InChIKey: DWFOURNWHRENMG-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 47.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.51
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-benzo[g]quinolin-5-yl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

The IUPAC name of 15-benzo[g]quinolin-5-yl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide (CID 122486861) is 15-benzo[g]quinolin-5-yl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide.

What is the SMILES notation for 15-benzo[g]quinolin-5-yl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

The canonical SMILES for 15-benzo[g]quinolin-5-yl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide is O=P1(c2ccccc2)c2ccccc2-n2c(-c3c4ccccc4cc4ncccc34)nc3cccc1c32.

What is the InChIKey of 15-benzo[g]quinolin-5-yl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

The InChIKey is DWFOURNWHRENMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N3OP/c36-37(22-11-2-1-3-12-22)28-17-7-6-16-27(28)35-31-25(15-8-18-29(31)37)34-32(35)30-23-13-5-4-10-21(23)20-26-24(30)14-9-19-33-26/h1-20H.

What are the key properties of 15-benzo[g]quinolin-5-yl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

15-benzo[g]quinolin-5-yl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide has a molecular weight of 493.51 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15-benzo[g]quinolin-5-yl-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide is sourced from PubChem (CID 122486861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).