ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium

C91H124N2Y-2 — CID 158379429

About ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium

ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium (PubChem CID 158379429) has the molecular formula C91H124N2Y-2 and a molecular weight of 1334.91 g/mol. Its IUPAC name is ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium.

Molecular Properties

• Compound Name: ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium
• PubChem CID: 158379429
• Molecular Formula: C91H124N2Y-2
• Molecular Weight: 1334.91 g/mol
• Exact Mass: 1333.88
• IUPAC Name: ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCn1c2ccccc2c2cc[c-]c(-c3[c-]cccc3)c21.CCn1c2ccccc2c2ccc3c(c21)Cc1ccccc1-3.[Y].c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
• InChI: InChI=1S/C21H17N.C20H15N.2C13H10.12C2H6.Y/c1-2-22-20-10-6-5-9-17(20)18-12-11-16-15-8-4-3-7-14(15)13-19(16)21(18)22;1-2-21-19-14-7-6-11-17(19)18-13-8-12-16(20(18)21)15-9-4-3-5-10-15;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;12*1-2;/h3-12H,2,13H2,1H3;3-9,11,13-14H,2H2,1H3;2*1-8H,9H2;12*1-2H3;/q;-2
• InChIKey: DXZQASLCUKTUOQ-UHFFFAOYSA-N
• XLogP: 29.29
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1334.91
LogP ≤ 5	29.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium?

The IUPAC name of ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium (CID 158379429) is ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium.

What is the SMILES notation for ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium?

The canonical SMILES for ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCn1c2ccccc2c2cc[c-]c(-c3[c-]cccc3)c21.CCn1c2ccccc2c2ccc3c(c21)Cc1ccccc1-3.[Y].c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.

What is the InChIKey of ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium?

The InChIKey is DXZQASLCUKTUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N.C20H15N.2C13H10.12C2H6.Y/c1-2-22-20-10-6-5-9-17(20)18-12-11-16-15-8-4-3-7-14(15)13-19(16)21(18)22;1-2-21-19-14-7-6-11-17(19)18-13-8-12-16(20(18)21)15-9-4-3-5-10-15;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;12*1-2;/h3-12H,2,13H2,1H3;3-9,11,13-14H,2H2,1H3;2*1-8H,9H2;12*1-2H3;/q;-2;;;;;;;;;;;;;;;.

What are the key properties of ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium?

ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium has a molecular weight of 1334.91 g/mol, XLogP of 29.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium is sourced from PubChem (CID 158379429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).