15-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide

C43H26N2O2S — CID 122486428

About 15-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide

15-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide (PubChem CID 122486428) has the molecular formula C43H26N2O2S and a molecular weight of 634.76 g/mol. Its IUPAC name is 15-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide.

Molecular Properties

• Compound Name: 15-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
• PubChem CID: 122486428
• Molecular Formula: C43H26N2O2S
• Molecular Weight: 634.76 g/mol
• Exact Mass: 634.17
• IUPAC Name: 15-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
• SMILES: O=S1(=O)c2ccccc2-n2c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccc(-c5ccccc5)cc34)nc3cccc1c32
• InChI: InChI=1S/C43H26N2O2S/c46-48(47)38-19-9-8-18-37(38)45-42-36(17-10-20-39(42)48)44-43(45)41-33-16-7-6-15-32(33)40(31-22-21-28-13-4-5-14-29(28)25-31)34-24-23-30(26-35(34)41)27-11-2-1-3-12-27/h1-26H
• InChIKey: NIACHULOYSXZMI-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 51.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.76
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide?

The IUPAC name of 15-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide (CID 122486428) is 15-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide.

What is the SMILES notation for 15-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide?

The canonical SMILES for 15-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide is O=S1(=O)c2ccccc2-n2c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccc(-c5ccccc5)cc34)nc3cccc1c32.

What is the InChIKey of 15-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide?

The InChIKey is NIACHULOYSXZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O2S/c46-48(47)38-19-9-8-18-37(38)45-42-36(17-10-20-39(42)48)44-43(45)41-33-16-7-6-15-32(33)40(31-22-21-28-13-4-5-14-29(28)25-31)34-24-23-30(26-35(34)41)27-11-2-1-3-12-27/h1-26H.

What are the key properties of 15-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide?

15-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide has a molecular weight of 634.76 g/mol, XLogP of 10.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide is sourced from PubChem (CID 122486428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).