carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium

C43H39HfN2-3 — CID 58231876

About carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium

carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium (PubChem CID 58231876) has the molecular formula C43H39HfN2-3 and a molecular weight of 762.29 g/mol. Its IUPAC name is carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium.

Molecular Properties

• Compound Name: carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium
• PubChem CID: 58231876
• Molecular Formula: C43H39HfN2-3
• Molecular Weight: 762.29 g/mol
• Exact Mass: 763.26
• IUPAC Name: carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium
• SMILES: CCCc1cccc(CCC)c1[N-]C(c1cccc(-c2[c-]ccc3ccccc23)n1)c1cc2ccccc2c2ccccc12.[CH3-].[Hf]
• InChI: InChI=1S/C42H36N2.CH3.Hf/c1-3-14-30-19-11-20-31(15-4-2)41(30)44-42(38-28-32-17-6-8-22-34(32)35-23-9-10-24-36(35)38)40-27-13-26-39(43-40)37-25-12-18-29-16-5-7-21-33(29)37;;/h5-13,16-24,26-28,42H,3-4,14-15H2,1-2H3;1H3;/q-2;-1
• InChIKey: UKODDDWPTJQANN-UHFFFAOYSA-N
• XLogP: 12.16
• TPSA: 26.99 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.29
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium?

The IUPAC name of carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium (CID 58231876) is carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium.

What is the SMILES notation for carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium?

The canonical SMILES for carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium is CCCc1cccc(CCC)c1[N-]C(c1cccc(-c2[c-]ccc3ccccc23)n1)c1cc2ccccc2c2ccccc12.[CH3-].[Hf].

What is the InChIKey of carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium?

The InChIKey is UKODDDWPTJQANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N2.CH3.Hf/c1-3-14-30-19-11-20-31(15-4-2)41(30)44-42(38-28-32-17-6-8-22-34(32)35-23-9-10-24-36(35)38)40-27-13-26-39(43-40)37-25-12-18-29-16-5-7-21-33(29)37;;/h5-13,16-24,26-28,42H,3-4,14-15H2,1-2H3;1H3;/q-2;-1;.

What are the key properties of carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium?

carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium has a molecular weight of 762.29 g/mol, XLogP of 12.16, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;(2,6-dipropylphenyl)-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;hafnium is sourced from PubChem (CID 58231876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).