carbanide;2-(2,7-ditert-butylcarbazol-9-yl)-6-[3,5-dichloro-2-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopropyl]oxidanium;zirconium

C168H204Cl8N4O8Zr — CID 159460942

About carbanide;2-(2,7-ditert-butylcarbazol-9-yl)-6-[3,5-dichloro-2-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopropyl]oxidanium;zirconium

carbanide;2-(2,7-ditert-butylcarbazol-9-yl)-6-[3,5-dichloro-2-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopropyl]oxidanium;zirconium (PubChem CID 159460942) has the molecular formula C168H204Cl8N4O8Zr and a molecular weight of 2782.35 g/mol. Its IUPAC name is carbanide;2-(2,7-ditert-butylcarbazol-9-yl)-6-[3,5-dichloro-2-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopropyl]oxidanium;zirconium.

Molecular Properties

• Compound Name: carbanide;2-(2,7-ditert-butylcarbazol-9-yl)-6-[3,5-dichloro-2-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopropyl]oxidanium;zirconium
• PubChem CID: 159460942
• Molecular Formula: C168H204Cl8N4O8Zr
• Molecular Weight: 2782.35 g/mol
• Exact Mass: 2775.22
• IUPAC Name: carbanide;2-(2,7-ditert-butylcarbazol-9-yl)-6-[3,5-dichloro-2-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopropyl]oxidanium;zirconium
• SMILES: CC(C)(C)CC(C)(C)c1cc(-c2cc(Cl)cc(Cl)c2OCCCOc2c(Cl)cc(Cl)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)c(O)c(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1.CC(C)(C)CC(C)(C)c1cc(-c2cc(Cl)cc(Cl)c2[OH+]CCC[OH+]c2c(Cl)cc(Cl)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)c(O)c(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1.[CH3-].[CH3-].[Zr]
• InChI: InChI=1S/2C83H98Cl4N2O4.2CH3.Zr/c2*1-76(2,3)46-82(19,20)52-34-60(72(90)70(40-52)88-66-36-48(78(7,8)9)24-28-56(66)57-29-25-49(37-67(57)88)79(10,11)12)62-42-54(84)44-64(86)74(62)92-32-23-33-93-75-63(43-55(85)45-65(75)87)61-35-53(83(21,22)47-77(4,5)6)41-71(73(61)91)89-68-38-50(80(13,14)15)26-30-58(68)59-31-27-51(39-69(59)89)81(16,17)18;;;/h2*24-31,34-45,90-91H,23,32-33,46-47H2,1-22H3;2*1H3;/q;;2*-1;/p+2
• InChIKey: ZSBPWPQAANWBLB-UHFFFAOYSA-P
• XLogP: 52.03
• TPSA: 144.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 28
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2782.35
LogP ≤ 5	52.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(2,7-ditert-butylcarbazol-9-yl)-6-[3,5-dichloro-2-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopropyl]oxidanium;zirconium?

The IUPAC name of carbanide;2-(2,7-ditert-butylcarbazol-9-yl)-6-[3,5-dichloro-2-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopropyl]oxidanium;zirconium (CID 159460942) is carbanide;2-(2,7-ditert-butylcarbazol-9-yl)-6-[3,5-dichloro-2-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopropyl]oxidanium;zirconium.

What is the SMILES notation for carbanide;2-(2,7-ditert-butylcarbazol-9-yl)-6-[3,5-dichloro-2-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopropyl]oxidanium;zirconium?

The canonical SMILES for carbanide;2-(2,7-ditert-butylcarbazol-9-yl)-6-[3,5-dichloro-2-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopropyl]oxidanium;zirconium is CC(C)(C)CC(C)(C)c1cc(-c2cc(Cl)cc(Cl)c2OCCCOc2c(Cl)cc(Cl)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)c(O)c(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1.CC(C)(C)CC(C)(C)c1cc(-c2cc(Cl)cc(Cl)c2[OH+]CCC[OH+]c2c(Cl)cc(Cl)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)c(O)c(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1.[CH3-].[CH3-].[Zr].

What is the InChIKey of carbanide;2-(2,7-ditert-butylcarbazol-9-yl)-6-[3,5-dichloro-2-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopropyl]oxidanium;zirconium?

The InChIKey is ZSBPWPQAANWBLB-UHFFFAOYSA-P. The full InChI is InChI=1S/2C83H98Cl4N2O4.2CH3.Zr/c2*1-76(2,3)46-82(19,20)52-34-60(72(90)70(40-52)88-66-36-48(78(7,8)9)24-28-56(66)57-29-25-49(37-67(57)88)79(10,11)12)62-42-54(84)44-64(86)74(62)92-32-23-33-93-75-63(43-55(85)45-65(75)87)61-35-53(83(21,22)47-77(4,5)6)41-71(73(61)91)89-68-38-50(80(13,14)15)26-30-58(68)59-31-27-51(39-69(59)89)81(16,17)18;;;/h2*24-31,34-45,90-91H,23,32-33,46-47H2,1-22H3;2*1H3;/q;;2*-1;/p+2.

What are the key properties of carbanide;2-(2,7-ditert-butylcarbazol-9-yl)-6-[3,5-dichloro-2-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopropyl]oxidanium;zirconium?

carbanide;2-(2,7-ditert-butylcarbazol-9-yl)-6-[3,5-dichloro-2-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopropyl]oxidanium;zirconium has a molecular weight of 2782.35 g/mol, XLogP of 52.03, 28 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2-(2,7-ditert-butylcarbazol-9-yl)-6-[3,5-dichloro-2-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-[3-[2,4-dichloro-6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]oxoniopropyl]oxidanium;zirconium is sourced from PubChem (CID 159460942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).