8-methyl-15-naphthalen-2-yl-6-(10-naphthalen-2-ylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

C48H31N3 — CID 122492892

About 8-methyl-15-naphthalen-2-yl-6-(10-naphthalen-2-ylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

8-methyl-15-naphthalen-2-yl-6-(10-naphthalen-2-ylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (PubChem CID 122492892) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 8-methyl-15-naphthalen-2-yl-6-(10-naphthalen-2-ylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

Molecular Properties

• Compound Name: 8-methyl-15-naphthalen-2-yl-6-(10-naphthalen-2-ylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
• PubChem CID: 122492892
• Molecular Formula: C48H31N3
• Molecular Weight: 649.80 g/mol
• Exact Mass: 649.25
• IUPAC Name: 8-methyl-15-naphthalen-2-yl-6-(10-naphthalen-2-ylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
• SMILES: CN1c2c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cccc2-n2c(-c3ccc4ccccc4c3)nc3cccc1c32
• InChI: InChI=1S/C48H31N3/c1-50-42-22-11-21-41-47(42)51(48(49-41)35-27-25-31-13-3-5-15-33(31)29-35)43-23-10-20-40(46(43)50)45-38-18-8-6-16-36(38)44(37-17-7-9-19-39(37)45)34-26-24-30-12-2-4-14-32(30)28-34/h2-29H,1H3
• InChIKey: OWAPOMWJRSIGKE-UHFFFAOYSA-N
• XLogP: 12.72
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.80
LogP ≤ 5	12.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-methyl-15-naphthalen-2-yl-6-(10-naphthalen-2-ylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The IUPAC name of 8-methyl-15-naphthalen-2-yl-6-(10-naphthalen-2-ylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (CID 122492892) is 8-methyl-15-naphthalen-2-yl-6-(10-naphthalen-2-ylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

What is the SMILES notation for 8-methyl-15-naphthalen-2-yl-6-(10-naphthalen-2-ylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The canonical SMILES for 8-methyl-15-naphthalen-2-yl-6-(10-naphthalen-2-ylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is CN1c2c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cccc2-n2c(-c3ccc4ccccc4c3)nc3cccc1c32.

What is the InChIKey of 8-methyl-15-naphthalen-2-yl-6-(10-naphthalen-2-ylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The InChIKey is OWAPOMWJRSIGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-50-42-22-11-21-41-47(42)51(48(49-41)35-27-25-31-13-3-5-15-33(31)29-35)43-23-10-20-40(46(43)50)45-38-18-8-6-16-36(38)44(37-17-7-9-19-39(37)45)34-26-24-30-12-2-4-14-32(30)28-34/h2-29H,1H3.

What are the key properties of 8-methyl-15-naphthalen-2-yl-6-(10-naphthalen-2-ylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

8-methyl-15-naphthalen-2-yl-6-(10-naphthalen-2-ylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene has a molecular weight of 649.80 g/mol, XLogP of 12.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-15-naphthalen-2-yl-6-(10-naphthalen-2-ylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is sourced from PubChem (CID 122492892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).