bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium

C52H64N5V-3 — CID 139114175

About bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium

bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium (PubChem CID 139114175) has the molecular formula C52H64N5V-3 and a molecular weight of 810.06 g/mol. Its IUPAC name is bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium.

Molecular Properties

• Compound Name: bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium
• PubChem CID: 139114175
• Molecular Formula: C52H64N5V-3
• Molecular Weight: 810.06 g/mol
• Exact Mass: 809.46
• IUPAC Name: bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium
• SMILES: C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.Cc1ccc([N-]c2ccc(C)cc2)cc1.Cc1cccc(C)c1[N-]C#N.[V]
• InChI: InChI=1S/C29H41N2.C14H14N.C9H9N2.V/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7-4-3-5-8(2)9(7)11-6-10;/h11-21H,1-10H3;3-10H,1-2H3;3-5H,1-2H3;/q3*-1;/b22-17-,31-23+
• InChIKey: OERUSCZSJVFJAP-IEBALEEYSA-N
• XLogP: 17.31
• TPSA: 78.45 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	810.06
LogP ≤ 5	17.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium?

The IUPAC name of bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium (CID 139114175) is bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium.

What is the SMILES notation for bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium?

The canonical SMILES for bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium is C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.Cc1ccc([N-]c2ccc(C)cc2)cc1.Cc1cccc(C)c1[N-]C#N.[V].

What is the InChIKey of bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium?

The InChIKey is OERUSCZSJVFJAP-IEBALEEYSA-N. The full InChI is InChI=1S/C29H41N2.C14H14N.C9H9N2.V/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7-4-3-5-8(2)9(7)11-6-10;/h11-21H,1-10H3;3-10H,1-2H3;3-5H,1-2H3;/q3*-1;/b22-17-,31-23+;;;.

What are the key properties of bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium?

bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium has a molecular weight of 810.06 g/mol, XLogP of 17.31, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium is sourced from PubChem (CID 139114175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).