lithium;alumane;bis([3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methanol);9-(4-bromobutyl)carbazole;hydride;methyl 3,5-bis(4-carbazol-9-ylbutoxy)benzoate;methyl 3,5-dihydroxybenzoate

C142H142AlBrLiN7O14 — CID 160978500

About lithium;alumane;bis([3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methanol);9-(4-bromobutyl)carbazole;hydride;methyl 3,5-bis(4-carbazol-9-ylbutoxy)benzoate;methyl 3,5-dihydroxybenzoate

lithium;alumane;bis([3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methanol);9-(4-bromobutyl)carbazole;hydride;methyl 3,5-bis(4-carbazol-9-ylbutoxy)benzoate;methyl 3,5-dihydroxybenzoate (PubChem CID 160978500) has the molecular formula C142H142AlBrLiN7O14 and a molecular weight of 2284.56 g/mol. Its IUPAC name is lithium;alumane;bis([3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methanol);9-(4-bromobutyl)carbazole;hydride;methyl 3,5-bis(4-carbazol-9-ylbutoxy)benzoate;methyl 3,5-dihydroxybenzoate.

Molecular Properties

• Compound Name: lithium;alumane;bis([3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methanol);9-(4-bromobutyl)carbazole;hydride;methyl 3,5-bis(4-carbazol-9-ylbutoxy)benzoate;methyl 3,5-dihydroxybenzoate
• PubChem CID: 160978500
• Molecular Formula: C142H142AlBrLiN7O14
• Molecular Weight: 2284.56 g/mol
• Exact Mass: 2281.98
• IUPAC Name: lithium;alumane;bis([3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methanol);9-(4-bromobutyl)carbazole;hydride;methyl 3,5-bis(4-carbazol-9-ylbutoxy)benzoate;methyl 3,5-dihydroxybenzoate
• SMILES: BrCCCCn1c2ccccc2c2ccccc21.COC(=O)c1cc(O)cc(O)c1.COC(=O)c1cc(OCCCCn2c3ccccc3c3ccccc32)cc(OCCCCn2c3ccccc3c3ccccc32)c1.OCc1cc(OCCCCn2c3ccccc3c3ccccc32)cc(OCCCCn2c3ccccc3c3ccccc32)c1.OCc1cc(OCCCCn2c3ccccc3c3ccccc32)cc(OCCCCn2c3ccccc3c3ccccc32)c1.[AlH3].[H-].[Li+]
• InChI: InChI=1S/C40H38N2O4.2C39H38N2O3.C16H16BrN.C8H8O4.Al.Li.4H/c1-44-40(43)29-26-30(45-24-12-10-22-41-36-18-6-2-14-32(36)33-15-3-7-19-37(33)41)28-31(27-29)46-25-13-11-23-42-38-20-8-4-16-34(38)35-17-5-9-21-39(35)42;2*42-28-29-25-30(43-23-11-9-21-40-36-17-5-1-13-32(36)33-14-2-6-18-37(33)40)27-31(26-29)44-24-12-10-22-41-38-19-7-3-15-34(38)35-16-4-8-20-39(35)41;17-11-5-6-12-18-15-9-3-1-7-13(15)14-8-2-4-10-16(14)18;1-12-8(11)5-2-6(9)4-7(10)3-5;;;;;;/h2-9,14-21,26-28H,10-13,22-25H2,1H3;2*1-8,13-20,25-27,42H,9-12,21-24,28H2;1-4,7-10H,5-6,11-12H2;2-4,9-10H,1H3;;;;;;/q;;;;;;+1;;;;-1
• InChIKey: QEWVRHNESSBJLZ-UHFFFAOYSA-N
• XLogP: 29.42
• TPSA: 223.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 44
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2284.56
LogP ≤ 5	29.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;bis([3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methanol);9-(4-bromobutyl)carbazole;hydride;methyl 3,5-bis(4-carbazol-9-ylbutoxy)benzoate;methyl 3,5-dihydroxybenzoate?

The IUPAC name of lithium;alumane;bis([3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methanol);9-(4-bromobutyl)carbazole;hydride;methyl 3,5-bis(4-carbazol-9-ylbutoxy)benzoate;methyl 3,5-dihydroxybenzoate (CID 160978500) is lithium;alumane;bis([3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methanol);9-(4-bromobutyl)carbazole;hydride;methyl 3,5-bis(4-carbazol-9-ylbutoxy)benzoate;methyl 3,5-dihydroxybenzoate.

What is the SMILES notation for lithium;alumane;bis([3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methanol);9-(4-bromobutyl)carbazole;hydride;methyl 3,5-bis(4-carbazol-9-ylbutoxy)benzoate;methyl 3,5-dihydroxybenzoate?

The canonical SMILES for lithium;alumane;bis([3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methanol);9-(4-bromobutyl)carbazole;hydride;methyl 3,5-bis(4-carbazol-9-ylbutoxy)benzoate;methyl 3,5-dihydroxybenzoate is BrCCCCn1c2ccccc2c2ccccc21.COC(=O)c1cc(O)cc(O)c1.COC(=O)c1cc(OCCCCn2c3ccccc3c3ccccc32)cc(OCCCCn2c3ccccc3c3ccccc32)c1.OCc1cc(OCCCCn2c3ccccc3c3ccccc32)cc(OCCCCn2c3ccccc3c3ccccc32)c1.OCc1cc(OCCCCn2c3ccccc3c3ccccc32)cc(OCCCCn2c3ccccc3c3ccccc32)c1.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;bis([3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methanol);9-(4-bromobutyl)carbazole;hydride;methyl 3,5-bis(4-carbazol-9-ylbutoxy)benzoate;methyl 3,5-dihydroxybenzoate?

The InChIKey is QEWVRHNESSBJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38N2O4.2C39H38N2O3.C16H16BrN.C8H8O4.Al.Li.4H/c1-44-40(43)29-26-30(45-24-12-10-22-41-36-18-6-2-14-32(36)33-15-3-7-19-37(33)41)28-31(27-29)46-25-13-11-23-42-38-20-8-4-16-34(38)35-17-5-9-21-39(35)42;2*42-28-29-25-30(43-23-11-9-21-40-36-17-5-1-13-32(36)33-14-2-6-18-37(33)40)27-31(26-29)44-24-12-10-22-41-38-19-7-3-15-34(38)35-16-4-8-20-39(35)41;17-11-5-6-12-18-15-9-3-1-7-13(15)14-8-2-4-10-16(14)18;1-12-8(11)5-2-6(9)4-7(10)3-5;;;;;;/h2-9,14-21,26-28H,10-13,22-25H2,1H3;2*1-8,13-20,25-27,42H,9-12,21-24,28H2;1-4,7-10H,5-6,11-12H2;2-4,9-10H,1H3;;;;;;/q;;;;;;+1;;;;-1.

What are the key properties of lithium;alumane;bis([3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methanol);9-(4-bromobutyl)carbazole;hydride;methyl 3,5-bis(4-carbazol-9-ylbutoxy)benzoate;methyl 3,5-dihydroxybenzoate?

lithium;alumane;bis([3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methanol);9-(4-bromobutyl)carbazole;hydride;methyl 3,5-bis(4-carbazol-9-ylbutoxy)benzoate;methyl 3,5-dihydroxybenzoate has a molecular weight of 2284.56 g/mol, XLogP of 29.42, 44 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;bis([3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methanol);9-(4-bromobutyl)carbazole;hydride;methyl 3,5-bis(4-carbazol-9-ylbutoxy)benzoate;methyl 3,5-dihydroxybenzoate is sourced from PubChem (CID 160978500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).