8-(6-methyl-9,10-diphenylanthracen-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C48H32N2 — CID 122524562

About 8-(6-methyl-9,10-diphenylanthracen-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

8-(6-methyl-9,10-diphenylanthracen-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 122524562) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 8-(6-methyl-9,10-diphenylanthracen-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

• Compound Name: 8-(6-methyl-9,10-diphenylanthracen-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
• PubChem CID: 122524562
• Molecular Formula: C48H32N2
• Molecular Weight: 636.80 g/mol
• Exact Mass: 636.26
• IUPAC Name: 8-(6-methyl-9,10-diphenylanthracen-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
• SMILES: Cc1ccc2c(-c3ccccc3)c3cc(-c4cc5c6cnccc6n(-c6ccccc6)c5c5ccccc45)ccc3c(-c3ccccc3)c2c1
• InChI: InChI=1S/C48H32N2/c1-31-21-23-37-41(27-31)46(32-13-5-2-6-14-32)38-24-22-34(28-42(38)47(37)33-15-7-3-8-16-33)40-29-43-44-30-49-26-25-45(44)50(35-17-9-4-10-18-35)48(43)39-20-12-11-19-36(39)40/h2-30H,1H3
• InChIKey: BMJMCFJYPCCIDZ-UHFFFAOYSA-N
• XLogP: 12.95
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.80
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(6-methyl-9,10-diphenylanthracen-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?

The IUPAC name of 8-(6-methyl-9,10-diphenylanthracen-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 122524562) is 8-(6-methyl-9,10-diphenylanthracen-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

What is the SMILES notation for 8-(6-methyl-9,10-diphenylanthracen-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?

The canonical SMILES for 8-(6-methyl-9,10-diphenylanthracen-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is Cc1ccc2c(-c3ccccc3)c3cc(-c4cc5c6cnccc6n(-c6ccccc6)c5c5ccccc45)ccc3c(-c3ccccc3)c2c1.

What is the InChIKey of 8-(6-methyl-9,10-diphenylanthracen-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?

The InChIKey is BMJMCFJYPCCIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-31-21-23-37-41(27-31)46(32-13-5-2-6-14-32)38-24-22-34(28-42(38)47(37)33-15-7-3-8-16-33)40-29-43-44-30-49-26-25-45(44)50(35-17-9-4-10-18-35)48(43)39-20-12-11-19-36(39)40/h2-30H,1H3.

What are the key properties of 8-(6-methyl-9,10-diphenylanthracen-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?

8-(6-methyl-9,10-diphenylanthracen-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 636.80 g/mol, XLogP of 12.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(6-methyl-9,10-diphenylanthracen-2-yl)-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 122524562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).