hydrazine;bis(1-methyl-4-phenylbenzene);spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-amine

C57H48N4O — CID 145313626

About hydrazine;bis(1-methyl-4-phenylbenzene);spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-amine

hydrazine;bis(1-methyl-4-phenylbenzene);spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-amine (PubChem CID 145313626) has the molecular formula C57H48N4O and a molecular weight of 805.04 g/mol. Its IUPAC name is hydrazine;bis(1-methyl-4-phenylbenzene);spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-amine.

Molecular Properties

• Compound Name: hydrazine;bis(1-methyl-4-phenylbenzene);spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-amine
• PubChem CID: 145313626
• Molecular Formula: C57H48N4O
• Molecular Weight: 805.04 g/mol
• Exact Mass: 804.38
• IUPAC Name: hydrazine;bis(1-methyl-4-phenylbenzene);spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-amine
• SMILES: Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccccc2)cc1.NN.Nc1cccc2c1Oc1ccccc1C21c2ccccc2-n2c3ccccc3c3cccc1c32
• InChI: InChI=1S/C31H20N2O.2C13H12.H4N2/c32-25-15-8-14-24-30(25)34-28-18-6-3-12-22(28)31(24)21-11-2-5-17-27(21)33-26-16-4-1-9-19(26)20-10-7-13-23(31)29(20)33;2*1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-2/h1-18H,32H2;2*2-10H,1H3;1-2H2
• InChIKey: BXZRGSUQXLWJLR-UHFFFAOYSA-N
• XLogP: 13.31
• TPSA: 92.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.04
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of hydrazine;bis(1-methyl-4-phenylbenzene);spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-amine?

The IUPAC name of hydrazine;bis(1-methyl-4-phenylbenzene);spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-amine (CID 145313626) is hydrazine;bis(1-methyl-4-phenylbenzene);spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-amine.

What is the SMILES notation for hydrazine;bis(1-methyl-4-phenylbenzene);spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-amine?

The canonical SMILES for hydrazine;bis(1-methyl-4-phenylbenzene);spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-amine is Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccccc2)cc1.NN.Nc1cccc2c1Oc1ccccc1C21c2ccccc2-n2c3ccccc3c3cccc1c32.

What is the InChIKey of hydrazine;bis(1-methyl-4-phenylbenzene);spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-amine?

The InChIKey is BXZRGSUQXLWJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O.2C13H12.H4N2/c32-25-15-8-14-24-30(25)34-28-18-6-3-12-22(28)31(24)21-11-2-5-17-27(21)33-26-16-4-1-9-19(26)20-10-7-13-23(31)29(20)33;2*1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-2/h1-18H,32H2;2*2-10H,1H3;1-2H2.

What are the key properties of hydrazine;bis(1-methyl-4-phenylbenzene);spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-amine?

hydrazine;bis(1-methyl-4-phenylbenzene);spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-amine has a molecular weight of 805.04 g/mol, XLogP of 13.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for hydrazine;bis(1-methyl-4-phenylbenzene);spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-4'-amine is sourced from PubChem (CID 145313626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).