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

C38H24N3OP — CID 122486923

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

6-benzo[h]quinolin-5-yl-8,15-diphenyl-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 122486923) has the molecular formula C38H24N3OP and a molecular weight of 569.60 g/mol. Its IUPAC name is 6-benzo[h]quinolin-5-yl-8,15-diphenyl-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: 6-benzo[h]quinolin-5-yl-8,15-diphenyl-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: 122486923
• Molecular Formula: C38H24N3OP
• Molecular Weight: 569.60 g/mol
• Exact Mass: 569.17
• IUPAC Name: 6-benzo[h]quinolin-5-yl-8,15-diphenyl-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)c2c(-c3cc4ccccc4c4ncccc34)cccc2-n2c(-c3ccccc3)nc3cccc1c32
• InChI: InChI=1S/C38H24N3OP/c42-43(27-15-5-2-6-16-27)34-22-10-20-32-36(34)41(38(40-32)25-12-3-1-4-13-25)33-21-9-18-30(37(33)43)31-24-26-14-7-8-17-28(26)35-29(31)19-11-23-39-35/h1-24H
• InChIKey: AFIMQHDBBMDDEO-UHFFFAOYSA-N
• XLogP: 8.01
• TPSA: 47.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.60
LogP ≤ 5	8.01
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_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-benzo[h]quinolin-5-yl-8,15-diphenyl-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 6-benzo[h]quinolin-5-yl-8,15-diphenyl-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 122486923) is 6-benzo[h]quinolin-5-yl-8,15-diphenyl-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 6-benzo[h]quinolin-5-yl-8,15-diphenyl-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 6-benzo[h]quinolin-5-yl-8,15-diphenyl-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)c2c(-c3cc4ccccc4c4ncccc34)cccc2-n2c(-c3ccccc3)nc3cccc1c32.

What is the InChIKey of 6-benzo[h]quinolin-5-yl-8,15-diphenyl-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 AFIMQHDBBMDDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N3OP/c42-43(27-15-5-2-6-16-27)34-22-10-20-32-36(34)41(38(40-32)25-12-3-1-4-13-25)33-21-9-18-30(37(33)43)31-24-26-14-7-8-17-28(26)35-29(31)19-11-23-39-35/h1-24H.

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

6-benzo[h]quinolin-5-yl-8,15-diphenyl-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 569.60 g/mol, XLogP of 8.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzo[h]quinolin-5-yl-8,15-diphenyl-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 122486923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).