carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(4-methanidyl-6,8-dimethyl-3,4-dihydro-2H-chromen-5-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium(4+)

C38H46HfN2O — CID 59479614

About carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(4-methanidyl-6,8-dimethyl-3,4-dihydro-2H-chromen-5-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium(4+)

carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(4-methanidyl-6,8-dimethyl-3,4-dihydro-2H-chromen-5-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium(4+) (PubChem CID 59479614) has the molecular formula C38H46HfN2O and a molecular weight of 725.29 g/mol. Its IUPAC name is carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(4-methanidyl-6,8-dimethyl-3,4-dihydro-2H-chromen-5-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium(4+).

Molecular Properties

• Compound Name: carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(4-methanidyl-6,8-dimethyl-3,4-dihydro-2H-chromen-5-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium(4+)
• PubChem CID: 59479614
• Molecular Formula: C38H46HfN2O
• Molecular Weight: 725.29 g/mol
• Exact Mass: 726.31
• IUPAC Name: carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(4-methanidyl-6,8-dimethyl-3,4-dihydro-2H-chromen-5-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium(4+)
• SMILES: [CH2-]C1CCOc2c(C)cc(C)c(-c3cccc(C([N-]c4c(C(C)C)cccc4C(C)C)c4ccccc4)n3)c21.[CH3-].[CH3-].[Hf+4]
• InChI: InChI=1S/C36H40N2O.2CH3.Hf/c1-22(2)28-15-11-16-29(23(3)4)35(28)38-34(27-13-9-8-10-14-27)31-18-12-17-30(37-31)32-25(6)21-26(7)36-33(32)24(5)19-20-39-36;;;/h8-18,21-24,34H,5,19-20H2,1-4,6-7H3;2*1H3;/q-2;2*-1;+4
• InChIKey: BPICJWDKKFGWAE-UHFFFAOYSA-N
• XLogP: 11.01
• TPSA: 36.22 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.29
LogP ≤ 5	11.01
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 carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(4-methanidyl-6,8-dimethyl-3,4-dihydro-2H-chromen-5-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium(4+)?

The IUPAC name of carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(4-methanidyl-6,8-dimethyl-3,4-dihydro-2H-chromen-5-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium(4+) (CID 59479614) is carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(4-methanidyl-6,8-dimethyl-3,4-dihydro-2H-chromen-5-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium(4+).

What is the SMILES notation for carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(4-methanidyl-6,8-dimethyl-3,4-dihydro-2H-chromen-5-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium(4+)?

The canonical SMILES for carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(4-methanidyl-6,8-dimethyl-3,4-dihydro-2H-chromen-5-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium(4+) is [CH2-]C1CCOc2c(C)cc(C)c(-c3cccc(C([N-]c4c(C(C)C)cccc4C(C)C)c4ccccc4)n3)c21.[CH3-].[CH3-].[Hf+4].

What is the InChIKey of carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(4-methanidyl-6,8-dimethyl-3,4-dihydro-2H-chromen-5-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium(4+)?

The InChIKey is BPICJWDKKFGWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N2O.2CH3.Hf/c1-22(2)28-15-11-16-29(23(3)4)35(28)38-34(27-13-9-8-10-14-27)31-18-12-17-30(37-31)32-25(6)21-26(7)36-33(32)24(5)19-20-39-36;;;/h8-18,21-24,34H,5,19-20H2,1-4,6-7H3;2*1H3;/q-2;2*-1;+4.

What are the key properties of carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(4-methanidyl-6,8-dimethyl-3,4-dihydro-2H-chromen-5-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium(4+)?

carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(4-methanidyl-6,8-dimethyl-3,4-dihydro-2H-chromen-5-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium(4+) has a molecular weight of 725.29 g/mol, XLogP of 11.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(4-methanidyl-6,8-dimethyl-3,4-dihydro-2H-chromen-5-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium(4+) is sourced from PubChem (CID 59479614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).