dichlorozirconium(2+);dimethyl-bis[2-methyl-4-(9-methylcarbazol-1-yl)inden-1-id-1-yl]silane

C48H40Cl2N2SiZr — CID 168786514

IUPACdichlorozirconium(2+);dimethyl-bis[2-methyl-4-(9-methylcarbazol-1-yl)inden-1-id-1-yl]silane
SMILESCc1cc2c(-c3cccc4c5ccccc5n(C)c34)cccc2[c-]1[Si](C)(C)[c-]1c(C)cc2c(-c3cccc4c5ccccc5n(C)c34)cccc21.Cl[Zr+2]Cl
InChIInChI=1S/C48H40N2Si.2ClH.Zr/c1-29-27-41-31(35-19-13-21-37-33-15-7-9-25-43(33)49(3)45(35)37)17-11-23-39(41)47(29)51(5,6)48-30(2)28-42-32(18-12-24-40(42)48)36-20-14-22-38-34-16-8-10-26-44(34)50(4)46(36)38;;;/h7-28H,1-6H3;2*1H;/q-2;;;+4/p-2
InChIKeyIFMHJCUKOBWSIZ-UHFFFAOYSA-L
MW835.08 g/mol
LogP12.87
Rot. Bonds4

About dichlorozirconium(2+);dimethyl-bis[2-methyl-4-(9-methylcarbazol-1-yl)inden-1-id-1-yl]silane

dichlorozirconium(2+);dimethyl-bis[2-methyl-4-(9-methylcarbazol-1-yl)inden-1-id-1-yl]silane (PubChem CID 168786514) has the molecular formula C48H40Cl2N2SiZr and a molecular weight of 835.08 g/mol. Its IUPAC name is dichlorozirconium(2+);dimethyl-bis[2-methyl-4-(9-methylcarbazol-1-yl)inden-1-id-1-yl]silane.

Molecular Properties

Compound Namedichlorozirconium(2+);dimethyl-bis[2-methyl-4-(9-methylcarbazol-1-yl)inden-1-id-1-yl]silane
PubChem CID168786514
Molecular FormulaC48H40Cl2N2SiZr
Molecular Weight835.08 g/mol
Exact Mass832.14
IUPAC Namedichlorozirconium(2+);dimethyl-bis[2-methyl-4-(9-methylcarbazol-1-yl)inden-1-id-1-yl]silane
SMILESCc1cc2c(-c3cccc4c5ccccc5n(C)c34)cccc2[c-]1[Si](C)(C)[c-]1c(C)cc2c(-c3cccc4c5ccccc5n(C)c34)cccc21.Cl[Zr+2]Cl
InChIInChI=1S/C48H40N2Si.2ClH.Zr/c1-29-27-41-31(35-19-13-21-37-33-15-7-9-25-43(33)49(3)45(35)37)17-11-23-39(41)47(29)51(5,6)48-30(2)28-42-32(18-12-24-40(42)48)36-20-14-22-38-34-16-8-10-26-44(34)50(4)46(36)38;;;/h7-28H,1-6H3;2*1H;/q-2;;;+4/p-2
InChIKeyIFMHJCUKOBWSIZ-UHFFFAOYSA-L
XLogP12.87
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.08
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dichlorozirconium(2+);dimethyl-bis[2-methyl-4-(9-methylcarbazol-1-yl)inden-1-id-1-yl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dichlorozirconium(2+);[3-hexyl-2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-dimethyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]silane
CID 168786639
carbanide;methyl-bis[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-phenylsilane;zirconium(4+)
CID 168786587
dichlorozirconium(2+);fluoren-9-id-9-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
CID 168786516
[4-(4-tert-butylphenyl)-2-methylinden-1-id-1-yl]-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+)
CID 168786629
9-methyl-1-quinolin-2-ylcarbazole
CID 140671194
dichlorozirconium(2+);diethyl-[2-methyl-4-(9-methylcarbazol-3-yl)inden-1-id-1-yl]-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]silane
CID 168786523
7,9-dimethyl-1-phenylcarbazole
CID 118392012
9-methyl-1-phenylcarbazole;9-methyl-1-(4-phenylphenyl)carbazole;9-[3-(3-methylphenyl)phenyl]carbazole;9-(3-methylphenyl)-1-(4-phenylphenyl)carbazole;9-(4-methylphenyl)-1-(4-phenylphenyl)carbazole
CID 161442751
1-(3,5-dimethylphenyl)-9-phenylcarbazole
CID 169054866
5,11-dimethylbenzo[a]carbazole
CID 58410472
1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole
CID 155333527
4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline
CID 146558759

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium(2+);dimethyl-bis[2-methyl-4-(9-methylcarbazol-1-yl)inden-1-id-1-yl]silane?
The IUPAC name of dichlorozirconium(2+);dimethyl-bis[2-methyl-4-(9-methylcarbazol-1-yl)inden-1-id-1-yl]silane (CID 168786514) is dichlorozirconium(2+);dimethyl-bis[2-methyl-4-(9-methylcarbazol-1-yl)inden-1-id-1-yl]silane.
What is the SMILES notation for dichlorozirconium(2+);dimethyl-bis[2-methyl-4-(9-methylcarbazol-1-yl)inden-1-id-1-yl]silane?
The canonical SMILES for dichlorozirconium(2+);dimethyl-bis[2-methyl-4-(9-methylcarbazol-1-yl)inden-1-id-1-yl]silane is Cc1cc2c(-c3cccc4c5ccccc5n(C)c34)cccc2[c-]1[Si](C)(C)[c-]1c(C)cc2c(-c3cccc4c5ccccc5n(C)c34)cccc21.Cl[Zr+2]Cl.
What is the InChIKey of dichlorozirconium(2+);dimethyl-bis[2-methyl-4-(9-methylcarbazol-1-yl)inden-1-id-1-yl]silane?
The InChIKey is IFMHJCUKOBWSIZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C48H40N2Si.2ClH.Zr/c1-29-27-41-31(35-19-13-21-37-33-15-7-9-25-43(33)49(3)45(35)37)17-11-23-39(41)47(29)51(5,6)48-30(2)28-42-32(18-12-24-40(42)48)36-20-14-22-38-34-16-8-10-26-44(34)50(4)46(36)38;;;/h7-28H,1-6H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of dichlorozirconium(2+);dimethyl-bis[2-methyl-4-(9-methylcarbazol-1-yl)inden-1-id-1-yl]silane?
dichlorozirconium(2+);dimethyl-bis[2-methyl-4-(9-methylcarbazol-1-yl)inden-1-id-1-yl]silane has a molecular weight of 835.08 g/mol, XLogP of 12.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium(2+);dimethyl-bis[2-methyl-4-(9-methylcarbazol-1-yl)inden-1-id-1-yl]silane is sourced from PubChem (CID 168786514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).