carbanide;2-carbazol-9-yl-6-[2-[3-[6-carbazol-9-yl-2-(3-chloro-5-methylphenyl)-1-hydroxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxypropoxy]-5-chloro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium

C71H80Cl2HfN2O4-2 — CID 158464985

About carbanide;2-carbazol-9-yl-6-[2-[3-[6-carbazol-9-yl-2-(3-chloro-5-methylphenyl)-1-hydroxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxypropoxy]-5-chloro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium

carbanide;2-carbazol-9-yl-6-[2-[3-[6-carbazol-9-yl-2-(3-chloro-5-methylphenyl)-1-hydroxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxypropoxy]-5-chloro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium (PubChem CID 158464985) has the molecular formula C71H80Cl2HfN2O4-2 and a molecular weight of 1274.83 g/mol. Its IUPAC name is carbanide;2-carbazol-9-yl-6-[2-[3-[6-carbazol-9-yl-2-(3-chloro-5-methylphenyl)-1-hydroxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxypropoxy]-5-chloro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium.

Molecular Properties

• Compound Name: carbanide;2-carbazol-9-yl-6-[2-[3-[6-carbazol-9-yl-2-(3-chloro-5-methylphenyl)-1-hydroxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxypropoxy]-5-chloro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium
• PubChem CID: 158464985
• Molecular Formula: C71H80Cl2HfN2O4-2
• Molecular Weight: 1274.83 g/mol
• Exact Mass: 1274.50
• IUPAC Name: carbanide;2-carbazol-9-yl-6-[2-[3-[6-carbazol-9-yl-2-(3-chloro-5-methylphenyl)-1-hydroxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxypropoxy]-5-chloro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium
• SMILES: Cc1cc(Cl)cc(C2=CC(C(C)(C)CC(C)(C)C)=CC(n3c4ccccc4c4ccccc43)C2(O)OCCCOc2c(C)cc(Cl)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccccc4c4ccccc43)c2O)c1.[CH3-].[CH3-].[Hf]
• InChI: InChI=1S/C69H74Cl2N2O4.2CH3.Hf/c1-43-32-45(35-48(70)33-43)56-37-47(68(11,12)42-66(6,7)8)39-62(73-59-28-19-15-24-52(59)53-25-16-20-29-60(53)73)69(56,75)77-31-21-30-76-64-44(2)34-49(71)40-55(64)54-36-46(67(9,10)41-65(3,4)5)38-61(63(54)74)72-57-26-17-13-22-50(57)51-23-14-18-27-58(51)72;;;/h13-20,22-29,32-40,62,74-75H,21,30-31,41-42H2,1-12H3;2*1H3;/q;2*-1
• InChIKey: LTUPEAOGVRXJHA-UHFFFAOYSA-N
• XLogP: 20.00
• TPSA: 68.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1274.83
LogP ≤ 5	20.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;2-carbazol-9-yl-6-[2-[3-[6-carbazol-9-yl-2-(3-chloro-5-methylphenyl)-1-hydroxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxypropoxy]-5-chloro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium?

The IUPAC name of carbanide;2-carbazol-9-yl-6-[2-[3-[6-carbazol-9-yl-2-(3-chloro-5-methylphenyl)-1-hydroxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxypropoxy]-5-chloro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium (CID 158464985) is carbanide;2-carbazol-9-yl-6-[2-[3-[6-carbazol-9-yl-2-(3-chloro-5-methylphenyl)-1-hydroxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxypropoxy]-5-chloro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium.

What is the SMILES notation for carbanide;2-carbazol-9-yl-6-[2-[3-[6-carbazol-9-yl-2-(3-chloro-5-methylphenyl)-1-hydroxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxypropoxy]-5-chloro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium?

The canonical SMILES for carbanide;2-carbazol-9-yl-6-[2-[3-[6-carbazol-9-yl-2-(3-chloro-5-methylphenyl)-1-hydroxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxypropoxy]-5-chloro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium is Cc1cc(Cl)cc(C2=CC(C(C)(C)CC(C)(C)C)=CC(n3c4ccccc4c4ccccc43)C2(O)OCCCOc2c(C)cc(Cl)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccccc4c4ccccc43)c2O)c1.[CH3-].[CH3-].[Hf].

What is the InChIKey of carbanide;2-carbazol-9-yl-6-[2-[3-[6-carbazol-9-yl-2-(3-chloro-5-methylphenyl)-1-hydroxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxypropoxy]-5-chloro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium?

The InChIKey is LTUPEAOGVRXJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H74Cl2N2O4.2CH3.Hf/c1-43-32-45(35-48(70)33-43)56-37-47(68(11,12)42-66(6,7)8)39-62(73-59-28-19-15-24-52(59)53-25-16-20-29-60(53)73)69(56,75)77-31-21-30-76-64-44(2)34-49(71)40-55(64)54-36-46(67(9,10)41-65(3,4)5)38-61(63(54)74)72-57-26-17-13-22-50(57)51-23-14-18-27-58(51)72;;;/h13-20,22-29,32-40,62,74-75H,21,30-31,41-42H2,1-12H3;2*1H3;/q;2*-1;.

What are the key properties of carbanide;2-carbazol-9-yl-6-[2-[3-[6-carbazol-9-yl-2-(3-chloro-5-methylphenyl)-1-hydroxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxypropoxy]-5-chloro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium?

carbanide;2-carbazol-9-yl-6-[2-[3-[6-carbazol-9-yl-2-(3-chloro-5-methylphenyl)-1-hydroxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxypropoxy]-5-chloro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium has a molecular weight of 1274.83 g/mol, XLogP of 20.00, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2-carbazol-9-yl-6-[2-[3-[6-carbazol-9-yl-2-(3-chloro-5-methylphenyl)-1-hydroxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-yl]oxypropoxy]-5-chloro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium is sourced from PubChem (CID 158464985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).