Carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2-methyl-3,4-dihydro-2H-quinolin-1-id-8-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline

C₇₀H₈₂HfN₆-4 — CID 162281036

About Carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2-methyl-3,4-dihydro-2H-quinolin-1-id-8-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline

Carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2-methyl-3,4-dihydro-2H-quinolin-1-id-8-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline (PubChem CID 162281036) has the molecular formula C₇₀H₈₂HfN₆-4 and a molecular weight of 1185.96 g/mol. Its IUPAC name is carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2-methyl-3,4-dihydro-2H-quinolin-1-id-8-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

• Compound Name: Carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2-methyl-3,4-dihydro-2H-quinolin-1-id-8-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
• PubChem CID: 162281036
• Molecular Formula: C₇₀H₈₂HfN₆-4
• Molecular Weight: 1185.96 g/mol
• Exact Mass: 1186.61
• IUPAC Name: carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2-methyl-3,4-dihydro-2H-quinolin-1-id-8-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
• SMILES: CC1CCc2cccc(-c3cccc(C(Nc4c(C(C)C)cccc4C(C)C)c4ccccc4)n3)c2N1.CC1CCc2cccc(-c3cccc(C([N-]c4c(C(C)C)cccc4C(C)C)c4ccccc4)n3)c2[N-]1.[CH3-].[CH3-].[Hf]
• InChI: InChI=1S/C34H39N3.C34H37N3.2CH3.Hf/c2*1-22(2)27-15-10-16-28(23(3)4)34(27)37-33(25-12-7-6-8-13-25)31-19-11-18-30(36-31)29-17-9-14-26-21-20-24(5)35-32(26)29;;;/h6-19,22-24,33,35,37H,20-21H2,1-5H3;6-19,22-24,33H,20-21H2,1-5H3;2*1H3;/q;-2;2*-1
• InChIKey: VXOWHLPUZHBJFU-UHFFFAOYSA-N
• XLogP: 19.97
• TPSA: 78.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1185.96
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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-(2-methyl-3,4-dihydro-2H-quinolin-1-id-8-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline?

The IUPAC name of Carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2-methyl-3,4-dihydro-2H-quinolin-1-id-8-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline (CID 162281036) is carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2-methyl-3,4-dihydro-2H-quinolin-1-id-8-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline.

What is the SMILES notation for Carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2-methyl-3,4-dihydro-2H-quinolin-1-id-8-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline?

The canonical SMILES for Carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2-methyl-3,4-dihydro-2H-quinolin-1-id-8-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline is CC1CCc2cccc(-c3cccc(C(Nc4c(C(C)C)cccc4C(C)C)c4ccccc4)n3)c2N1.CC1CCc2cccc(-c3cccc(C([N-]c4c(C(C)C)cccc4C(C)C)c4ccccc4)n3)c2[N-]1.[CH3-].[CH3-].[Hf].

What is the InChIKey of Carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2-methyl-3,4-dihydro-2H-quinolin-1-id-8-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline?

The InChIKey is VXOWHLPUZHBJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3.C34H37N3.2CH3.Hf/c2*1-22(2)27-15-10-16-28(23(3)4)34(27)37-33(25-12-7-6-8-13-25)31-19-11-18-30(36-31)29-17-9-14-26-21-20-24(5)35-32(26)29;;;/h6-19,22-24,33,35,37H,20-21H2,1-5H3;6-19,22-24,33H,20-21H2,1-5H3;2*1H3;/q;-2;2*-1;.

What are the key properties of Carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2-methyl-3,4-dihydro-2H-quinolin-1-id-8-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline?

Carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2-methyl-3,4-dihydro-2H-quinolin-1-id-8-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 1185.96 g/mol, XLogP of 19.97, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2-methyl-3,4-dihydro-2H-quinolin-1-id-8-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 162281036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162281036 — identifiers, structure, computed properties (public domain)

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