15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

C37H23N3S — CID 122469518

About 15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (PubChem CID 122469518) has the molecular formula C37H23N3S and a molecular weight of 541.68 g/mol. Its IUPAC name is 15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8-thia-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-(10-quinolin-8-ylanthracen-9-yl)-8-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
• PubChem CID: 122469518
• Molecular Formula: C37H23N3S
• Molecular Weight: 541.68 g/mol
• Exact Mass: 541.16
• IUPAC Name: 15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
• SMILES: Cc1nc2cccc3c2n1-c1ccc(-c2c4ccccc4c(-c4cccc5cccnc45)c4ccccc24)cc1S3
• InChI: InChI=1S/C37H23N3S/c1-22-39-30-16-7-17-32-37(30)40(22)31-19-18-24(21-33(31)41-32)34-25-11-2-4-13-27(25)35(28-14-5-3-12-26(28)34)29-15-6-9-23-10-8-20-38-36(23)29/h2-21H,1H3
• InChIKey: ACKUCUXFNSHIJT-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.68
LogP ≤ 5	9.99
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-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8-thia-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-(10-quinolin-8-ylanthracen-9-yl)-8-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (CID 122469518) is 15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8-thia-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-(10-quinolin-8-ylanthracen-9-yl)-8-thia-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-(10-quinolin-8-ylanthracen-9-yl)-8-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is Cc1nc2cccc3c2n1-c1ccc(-c2c4ccccc4c(-c4cccc5cccnc45)c4ccccc24)cc1S3.

What is the InChIKey of 15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The InChIKey is ACKUCUXFNSHIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3S/c1-22-39-30-16-7-17-32-37(30)40(22)31-19-18-24(21-33(31)41-32)34-25-11-2-4-13-27(25)35(28-14-5-3-12-26(28)34)29-15-6-9-23-10-8-20-38-36(23)29/h2-21H,1H3.

What are the key properties of 15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8-thia-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 541.68 g/mol, XLogP of 9.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15-methyl-5-(10-quinolin-8-ylanthracen-9-yl)-8-thia-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 122469518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).