carbanide;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopenta-1,4-dien-1-ylmethyl]-2,7-diphenyl-9H-fluorene;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopentylmethyl]-2,7-diphenyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+)

C100H118Cl2Zr — CID 162279016

About carbanide;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopenta-1,4-dien-1-ylmethyl]-2,7-diphenyl-9H-fluorene;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopentylmethyl]-2,7-diphenyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+)

carbanide;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopenta-1,4-dien-1-ylmethyl]-2,7-diphenyl-9H-fluorene;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopentylmethyl]-2,7-diphenyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+) (PubChem CID 162279016) has the molecular formula C100H118Cl2Zr and a molecular weight of 1482.17 g/mol. Its IUPAC name is carbanide;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopenta-1,4-dien-1-ylmethyl]-2,7-diphenyl-9H-fluorene;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopentylmethyl]-2,7-diphenyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+).

Molecular Properties

• Compound Name: carbanide;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopenta-1,4-dien-1-ylmethyl]-2,7-diphenyl-9H-fluorene;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopentylmethyl]-2,7-diphenyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+)
• PubChem CID: 162279016
• Molecular Formula: C100H118Cl2Zr
• Molecular Weight: 1482.17 g/mol
• Exact Mass: 1478.77
• IUPAC Name: carbanide;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopenta-1,4-dien-1-ylmethyl]-2,7-diphenyl-9H-fluorene;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopentylmethyl]-2,7-diphenyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+)
• SMILES: CC(C)(C)C1=CC2C3C=C(C(C)(C)C)C(c4ccccc4)=CC3C(C(c3ccc(C(C)(C)C)cc3)C3CCCC3)C2C=C1c1ccccc1.CC(C)(C)c1ccc(C(C2=CCC=C2)C2c3cc(-c4ccccc4)c(C(C)(C)C)cc3-c3cc(C(C)(C)C)c(-c4ccccc4)cc32)cc1.Cl[Zr+2]Cl.[CH3-].[CH3-]
• InChI: InChI=1S/C49H60.C49H52.2CH3.2ClH.Zr/c2*1-47(2,3)36-26-24-35(25-27-36)45(34-22-16-17-23-34)46-41-28-37(32-18-12-10-13-19-32)43(48(4,5)6)30-39(41)40-31-44(49(7,8)9)38(29-42(40)46)33-20-14-11-15-21-33;;;;;/h10-15,18-21,24-31,34,39-42,45-46H,16-17,22-23H2,1-9H3;10-16,18-31,45-46H,17H2,1-9H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2
• InChIKey: IZXBULMDYPKFJN-UHFFFAOYSA-L
• XLogP: 29.46
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1482.17
LogP ≤ 5	29.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopenta-1,4-dien-1-ylmethyl]-2,7-diphenyl-9H-fluorene;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopentylmethyl]-2,7-diphenyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+)?

The IUPAC name of carbanide;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopenta-1,4-dien-1-ylmethyl]-2,7-diphenyl-9H-fluorene;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopentylmethyl]-2,7-diphenyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+) (CID 162279016) is carbanide;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopenta-1,4-dien-1-ylmethyl]-2,7-diphenyl-9H-fluorene;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopentylmethyl]-2,7-diphenyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+).

What is the SMILES notation for carbanide;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopenta-1,4-dien-1-ylmethyl]-2,7-diphenyl-9H-fluorene;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopentylmethyl]-2,7-diphenyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+)?

The canonical SMILES for carbanide;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopenta-1,4-dien-1-ylmethyl]-2,7-diphenyl-9H-fluorene;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopentylmethyl]-2,7-diphenyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+) is CC(C)(C)C1=CC2C3C=C(C(C)(C)C)C(c4ccccc4)=CC3C(C(c3ccc(C(C)(C)C)cc3)C3CCCC3)C2C=C1c1ccccc1.CC(C)(C)c1ccc(C(C2=CCC=C2)C2c3cc(-c4ccccc4)c(C(C)(C)C)cc3-c3cc(C(C)(C)C)c(-c4ccccc4)cc32)cc1.Cl[Zr+2]Cl.[CH3-].[CH3-].

What is the InChIKey of carbanide;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopenta-1,4-dien-1-ylmethyl]-2,7-diphenyl-9H-fluorene;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopentylmethyl]-2,7-diphenyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+)?

The InChIKey is IZXBULMDYPKFJN-UHFFFAOYSA-L. The full InChI is InChI=1S/C49H60.C49H52.2CH3.2ClH.Zr/c2*1-47(2,3)36-26-24-35(25-27-36)45(34-22-16-17-23-34)46-41-28-37(32-18-12-10-13-19-32)43(48(4,5)6)30-39(41)40-31-44(49(7,8)9)38(29-42(40)46)33-20-14-11-15-21-33;;;;;/h10-15,18-21,24-31,34,39-42,45-46H,16-17,22-23H2,1-9H3;10-16,18-31,45-46H,17H2,1-9H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2.

What are the key properties of carbanide;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopenta-1,4-dien-1-ylmethyl]-2,7-diphenyl-9H-fluorene;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopentylmethyl]-2,7-diphenyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+)?

carbanide;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopenta-1,4-dien-1-ylmethyl]-2,7-diphenyl-9H-fluorene;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopentylmethyl]-2,7-diphenyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+) has a molecular weight of 1482.17 g/mol, XLogP of 29.46, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopenta-1,4-dien-1-ylmethyl]-2,7-diphenyl-9H-fluorene;3,6-ditert-butyl-9-[(4-tert-butylphenyl)-cyclopentylmethyl]-2,7-diphenyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+) is sourced from PubChem (CID 162279016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).