[[6-(2,5-dihydronaphthalen-5-ylium-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;bis(dimethylazanide);hafnium(4+);N-[(6-naphthalen-1-yl-2-pyridinyl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline

C88H85HfN6+ — CID 162282168

About [[6-(2,5-dihydronaphthalen-5-ylium-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;bis(dimethylazanide);hafnium(4+);N-[(6-naphthalen-1-yl-2-pyridinyl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline

[[6-(2,5-dihydronaphthalen-5-ylium-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;bis(dimethylazanide);hafnium(4+);N-[(6-naphthalen-1-yl-2-pyridinyl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline (PubChem CID 162282168) has the molecular formula C88H85HfN6+ and a molecular weight of 1405.18 g/mol. Its IUPAC name is [[6-(2,5-dihydronaphthalen-5-ylium-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;bis(dimethylazanide);hafnium(4+);N-[(6-naphthalen-1-yl-2-pyridinyl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

• Compound Name: [[6-(2,5-dihydronaphthalen-5-ylium-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;bis(dimethylazanide);hafnium(4+);N-[(6-naphthalen-1-yl-2-pyridinyl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline
• PubChem CID: 162282168
• Molecular Formula: C88H85HfN6+
• Molecular Weight: 1405.18 g/mol
• Exact Mass: 1405.63
• IUPAC Name: [[6-(2,5-dihydronaphthalen-5-ylium-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;bis(dimethylazanide);hafnium(4+);N-[(6-naphthalen-1-yl-2-pyridinyl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline
• SMILES: CC(C)c1cccc(C(C)C)c1NC(c1cccc(-c2cccc3ccccc23)n1)c1cc2ccccc2c2ccccc12.CC(C)c1cccc(C(C)C)c1[N-]C(c1cccc(-c2[c-]ccc3c2=CC=C[C+]=3)n1)c1cc2ccccc2c2ccccc12.C[N-]C.C[N-]C.[Hf+4]
• InChI: InChI=1S/C42H38N2.C42H35N2.2C2H6N.Hf/c2*1-27(2)31-21-12-22-32(28(3)4)41(31)44-42(38-26-30-15-6-8-18-34(30)35-19-9-10-20-36(35)38)40-25-13-24-39(43-40)37-23-11-16-29-14-5-7-17-33(29)37;2*1-3-2;/h5-28,42,44H,1-4H3;5-13,15-22,24-28,42H,1-4H3;2*1-2H3;/q;3*-1;+4
• InChIKey: CGXRYAIHOZQYMW-UHFFFAOYSA-N
• XLogP: 22.80
• TPSA: 80.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1405.18
LogP ≤ 5	22.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[6-(2,5-dihydronaphthalen-5-ylium-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;bis(dimethylazanide);hafnium(4+);N-[(6-naphthalen-1-yl-2-pyridinyl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline?

The IUPAC name of [[6-(2,5-dihydronaphthalen-5-ylium-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;bis(dimethylazanide);hafnium(4+);N-[(6-naphthalen-1-yl-2-pyridinyl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline (CID 162282168) is [[6-(2,5-dihydronaphthalen-5-ylium-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;bis(dimethylazanide);hafnium(4+);N-[(6-naphthalen-1-yl-2-pyridinyl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline.

What is the SMILES notation for [[6-(2,5-dihydronaphthalen-5-ylium-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;bis(dimethylazanide);hafnium(4+);N-[(6-naphthalen-1-yl-2-pyridinyl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline?

The canonical SMILES for [[6-(2,5-dihydronaphthalen-5-ylium-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;bis(dimethylazanide);hafnium(4+);N-[(6-naphthalen-1-yl-2-pyridinyl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1NC(c1cccc(-c2cccc3ccccc23)n1)c1cc2ccccc2c2ccccc12.CC(C)c1cccc(C(C)C)c1[N-]C(c1cccc(-c2[c-]ccc3c2=CC=C[C+]=3)n1)c1cc2ccccc2c2ccccc12.C[N-]C.C[N-]C.[Hf+4].

What is the InChIKey of [[6-(2,5-dihydronaphthalen-5-ylium-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;bis(dimethylazanide);hafnium(4+);N-[(6-naphthalen-1-yl-2-pyridinyl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline?

The InChIKey is CGXRYAIHOZQYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N2.C42H35N2.2C2H6N.Hf/c2*1-27(2)31-21-12-22-32(28(3)4)41(31)44-42(38-26-30-15-6-8-18-34(30)35-19-9-10-20-36(35)38)40-25-13-24-39(43-40)37-23-11-16-29-14-5-7-17-33(29)37;2*1-3-2;/h5-28,42,44H,1-4H3;5-13,15-22,24-28,42H,1-4H3;2*1-2H3;/q;3*-1;+4.

What are the key properties of [[6-(2,5-dihydronaphthalen-5-ylium-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;bis(dimethylazanide);hafnium(4+);N-[(6-naphthalen-1-yl-2-pyridinyl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline?

[[6-(2,5-dihydronaphthalen-5-ylium-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;bis(dimethylazanide);hafnium(4+);N-[(6-naphthalen-1-yl-2-pyridinyl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 1405.18 g/mol, XLogP of 22.80, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [[6-(2,5-dihydronaphthalen-5-ylium-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;bis(dimethylazanide);hafnium(4+);N-[(6-naphthalen-1-yl-2-pyridinyl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 162282168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).