11-methyl-5-(4H-naphthalen-4-id-1-yl)benzo[a]carbazole;11-methyl-5-(6H-naphthalen-6-id-2-yl)benzo[a]carbazole;11-methyl-5-(4-phenylphenyl)benzo[a]carbazole;11-methyl-5-(5-phenylthiophen-2-yl)benzo[a]carbazole;tetrakis(yttrium)

C110H74N4SY4-4 — CID 160783254

About 11-methyl-5-(4H-naphthalen-4-id-1-yl)benzo[a]carbazole;11-methyl-5-(6H-naphthalen-6-id-2-yl)benzo[a]carbazole;11-methyl-5-(4-phenylphenyl)benzo[a]carbazole;11-methyl-5-(5-phenylthiophen-2-yl)benzo[a]carbazole;tetrakis(yttrium)

11-methyl-5-(4H-naphthalen-4-id-1-yl)benzo[a]carbazole;11-methyl-5-(6H-naphthalen-6-id-2-yl)benzo[a]carbazole;11-methyl-5-(4-phenylphenyl)benzo[a]carbazole;11-methyl-5-(5-phenylthiophen-2-yl)benzo[a]carbazole;tetrakis(yttrium) (PubChem CID 160783254) has the molecular formula C110H74N4SY4-4 and a molecular weight of 1839.52 g/mol. Its IUPAC name is 11-methyl-5-(4H-naphthalen-4-id-1-yl)benzo[a]carbazole;11-methyl-5-(6H-naphthalen-6-id-2-yl)benzo[a]carbazole;11-methyl-5-(4-phenylphenyl)benzo[a]carbazole;11-methyl-5-(5-phenylthiophen-2-yl)benzo[a]carbazole;tetrakis(yttrium).

Molecular Properties

• Compound Name: 11-methyl-5-(4H-naphthalen-4-id-1-yl)benzo[a]carbazole;11-methyl-5-(6H-naphthalen-6-id-2-yl)benzo[a]carbazole;11-methyl-5-(4-phenylphenyl)benzo[a]carbazole;11-methyl-5-(5-phenylthiophen-2-yl)benzo[a]carbazole;tetrakis(yttrium)
• PubChem CID: 160783254
• Molecular Formula: C110H74N4SY4-4
• Molecular Weight: 1839.52 g/mol
• Exact Mass: 1838.19
• IUPAC Name: 11-methyl-5-(4H-naphthalen-4-id-1-yl)benzo[a]carbazole;11-methyl-5-(6H-naphthalen-6-id-2-yl)benzo[a]carbazole;11-methyl-5-(4-phenylphenyl)benzo[a]carbazole;11-methyl-5-(5-phenylthiophen-2-yl)benzo[a]carbazole;tetrakis(yttrium)
• SMILES: Cn1c2ccccc2c2cc(-c3cc[c-]c4ccccc34)c3ccccc3c21.Cn1c2ccccc2c2cc(-c3ccc(-c4cc[c-]cc4)cc3)c3ccccc3c21.Cn1c2ccccc2c2cc(-c3ccc(-c4cc[c-]cc4)s3)c3ccccc3c21.Cn1c2ccccc2c2cc(-c3ccc4c[c-]ccc4c3)c3ccccc3c21.[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C29H20N.C27H18NS.2C27H18N.4Y/c1-30-28-14-8-7-12-24(28)27-19-26(23-11-5-6-13-25(23)29(27)30)22-17-15-21(16-18-22)20-9-3-2-4-10-20;1-28-24-14-8-7-12-20(24)23-17-22(19-11-5-6-13-21(19)27(23)28)26-16-15-25(29-26)18-9-3-2-4-10-18;1-28-26-16-7-6-13-22(26)25-17-24(21-12-4-5-14-23(21)27(25)28)20-15-8-10-18-9-2-3-11-19(18)20;1-28-26-13-7-6-11-22(26)25-17-24(21-10-4-5-12-23(21)27(25)28)20-15-14-18-8-2-3-9-19(18)16-20;;;;/h3-19H,1H3;3-17H,1H3;2-9,11-17H,1H3;3-17H,1H3;;;;/q4*-1
• InChIKey: KSAMZDBIVPFJDA-UHFFFAOYSA-N
• XLogP: 29.50
• TPSA: 19.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1839.52
LogP ≤ 5	29.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-methyl-5-(4H-naphthalen-4-id-1-yl)benzo[a]carbazole;11-methyl-5-(6H-naphthalen-6-id-2-yl)benzo[a]carbazole;11-methyl-5-(4-phenylphenyl)benzo[a]carbazole;11-methyl-5-(5-phenylthiophen-2-yl)benzo[a]carbazole;tetrakis(yttrium)?

The IUPAC name of 11-methyl-5-(4H-naphthalen-4-id-1-yl)benzo[a]carbazole;11-methyl-5-(6H-naphthalen-6-id-2-yl)benzo[a]carbazole;11-methyl-5-(4-phenylphenyl)benzo[a]carbazole;11-methyl-5-(5-phenylthiophen-2-yl)benzo[a]carbazole;tetrakis(yttrium) (CID 160783254) is 11-methyl-5-(4H-naphthalen-4-id-1-yl)benzo[a]carbazole;11-methyl-5-(6H-naphthalen-6-id-2-yl)benzo[a]carbazole;11-methyl-5-(4-phenylphenyl)benzo[a]carbazole;11-methyl-5-(5-phenylthiophen-2-yl)benzo[a]carbazole;tetrakis(yttrium).

What is the SMILES notation for 11-methyl-5-(4H-naphthalen-4-id-1-yl)benzo[a]carbazole;11-methyl-5-(6H-naphthalen-6-id-2-yl)benzo[a]carbazole;11-methyl-5-(4-phenylphenyl)benzo[a]carbazole;11-methyl-5-(5-phenylthiophen-2-yl)benzo[a]carbazole;tetrakis(yttrium)?

The canonical SMILES for 11-methyl-5-(4H-naphthalen-4-id-1-yl)benzo[a]carbazole;11-methyl-5-(6H-naphthalen-6-id-2-yl)benzo[a]carbazole;11-methyl-5-(4-phenylphenyl)benzo[a]carbazole;11-methyl-5-(5-phenylthiophen-2-yl)benzo[a]carbazole;tetrakis(yttrium) is Cn1c2ccccc2c2cc(-c3cc[c-]c4ccccc34)c3ccccc3c21.Cn1c2ccccc2c2cc(-c3ccc(-c4cc[c-]cc4)cc3)c3ccccc3c21.Cn1c2ccccc2c2cc(-c3ccc(-c4cc[c-]cc4)s3)c3ccccc3c21.Cn1c2ccccc2c2cc(-c3ccc4c[c-]ccc4c3)c3ccccc3c21.[Y].[Y].[Y].[Y].

What is the InChIKey of 11-methyl-5-(4H-naphthalen-4-id-1-yl)benzo[a]carbazole;11-methyl-5-(6H-naphthalen-6-id-2-yl)benzo[a]carbazole;11-methyl-5-(4-phenylphenyl)benzo[a]carbazole;11-methyl-5-(5-phenylthiophen-2-yl)benzo[a]carbazole;tetrakis(yttrium)?

The InChIKey is KSAMZDBIVPFJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N.C27H18NS.2C27H18N.4Y/c1-30-28-14-8-7-12-24(28)27-19-26(23-11-5-6-13-25(23)29(27)30)22-17-15-21(16-18-22)20-9-3-2-4-10-20;1-28-24-14-8-7-12-20(24)23-17-22(19-11-5-6-13-21(19)27(23)28)26-16-15-25(29-26)18-9-3-2-4-10-18;1-28-26-16-7-6-13-22(26)25-17-24(21-12-4-5-14-23(21)27(25)28)20-15-8-10-18-9-2-3-11-19(18)20;1-28-26-13-7-6-11-22(26)25-17-24(21-10-4-5-12-23(21)27(25)28)20-15-14-18-8-2-3-9-19(18)16-20;;;;/h3-19H,1H3;3-17H,1H3;2-9,11-17H,1H3;3-17H,1H3;;;;/q4*-1;;;;.

What are the key properties of 11-methyl-5-(4H-naphthalen-4-id-1-yl)benzo[a]carbazole;11-methyl-5-(6H-naphthalen-6-id-2-yl)benzo[a]carbazole;11-methyl-5-(4-phenylphenyl)benzo[a]carbazole;11-methyl-5-(5-phenylthiophen-2-yl)benzo[a]carbazole;tetrakis(yttrium)?

11-methyl-5-(4H-naphthalen-4-id-1-yl)benzo[a]carbazole;11-methyl-5-(6H-naphthalen-6-id-2-yl)benzo[a]carbazole;11-methyl-5-(4-phenylphenyl)benzo[a]carbazole;11-methyl-5-(5-phenylthiophen-2-yl)benzo[a]carbazole;tetrakis(yttrium) has a molecular weight of 1839.52 g/mol, XLogP of 29.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-methyl-5-(4H-naphthalen-4-id-1-yl)benzo[a]carbazole;11-methyl-5-(6H-naphthalen-6-id-2-yl)benzo[a]carbazole;11-methyl-5-(4-phenylphenyl)benzo[a]carbazole;11-methyl-5-(5-phenylthiophen-2-yl)benzo[a]carbazole;tetrakis(yttrium) is sourced from PubChem (CID 160783254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).