bis(4-carbazol-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(4-indol-1-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis(2-methyl-4-pyrrol-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;zirconium(4+)

C122H150Cl4N6Si3Zr3 — CID 162298066

IUPACbis(4-carbazol-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(4-indol-1-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis(2-methyl-4-pyrrol-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;zirconium(4+)
SMILESCC1CC2C(n3c4ccccc4c4ccccc43)=CC=CC2C1[Si](C)(C)C1C(C)CC2C(n3c4ccccc4c4ccccc43)=CC=CC21.CC1CC2C(n3ccc4ccccc43)=CC=CC2C1[Si](C)(C)C1C(C)CC2C(n3ccc4ccccc43)=CC=CC21.CC1CC2C(n3cccc3)=CC=CC2C1[Si](C)(C)C1C(C)CC2C(n3cccc3)=CC=CC21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C46H46N2Si.C38H42N2Si.C30H38N2Si.8CH3.4ClH.3Zr/c1-29-27-37-35(19-13-25-43(37)47-39-21-9-5-15-31(39)32-16-6-10-22-40(32)47)45(29)49(3,4)46-30(2)28-38-36(46)20-14-26-44(38)48-41-23-11-7-17-33(41)34-18-8-12-24-42(34)48;1-25-23-31-29(13-9-17-35(31)39-21-19-27-11-5-7-15-33(27)39)37(25)41(3,4)38-26(2)24-32-30(38)14-10-18-36(32)40-22-20-28-12-6-8-16-34(28)40;1-21-19-25-23(11-9-13-27(25)31-15-5-6-16-31)29(21)33(3,4)30-22(2)20-26-24(30)12-10-14-28(26)32-17-7-8-18-32;;;;;;;;;;;;;;;/h5-26,29-30,35-38,45-46H,27-28H2,1-4H3;5-22,25-26,29-32,37-38H,23-24H2,1-4H3;5-18,21-26,29-30H,19-20H2,1-4H3;8*1H3;4*1H;;;/q;;;8*-1;;;;;3*+4/p-4
InChIKeyBFGFQXCEQOGTFW-UHFFFAOYSA-J
MW2200.33 g/mol
LogP36.69
Rot. Bonds12

About bis(4-carbazol-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(4-indol-1-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis(2-methyl-4-pyrrol-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;zirconium(4+)

bis(4-carbazol-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(4-indol-1-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis(2-methyl-4-pyrrol-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;zirconium(4+) (PubChem CID 162298066) has the molecular formula C122H150Cl4N6Si3Zr3 and a molecular weight of 2200.33 g/mol. Its IUPAC name is bis(4-carbazol-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(4-indol-1-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis(2-methyl-4-pyrrol-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;zirconium(4+).

Molecular Properties

Compound Namebis(4-carbazol-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(4-indol-1-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis(2-methyl-4-pyrrol-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;zirconium(4+)
PubChem CID162298066
Molecular FormulaC122H150Cl4N6Si3Zr3
Molecular Weight2200.33 g/mol
Exact Mass2192.71
IUPAC Namebis(4-carbazol-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(4-indol-1-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis(2-methyl-4-pyrrol-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;zirconium(4+)
SMILESCC1CC2C(n3c4ccccc4c4ccccc43)=CC=CC2C1[Si](C)(C)C1C(C)CC2C(n3c4ccccc4c4ccccc43)=CC=CC21.CC1CC2C(n3ccc4ccccc43)=CC=CC2C1[Si](C)(C)C1C(C)CC2C(n3ccc4ccccc43)=CC=CC21.CC1CC2C(n3cccc3)=CC=CC2C1[Si](C)(C)C1C(C)CC2C(n3cccc3)=CC=CC21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C46H46N2Si.C38H42N2Si.C30H38N2Si.8CH3.4ClH.3Zr/c1-29-27-37-35(19-13-25-43(37)47-39-21-9-5-15-31(39)32-16-6-10-22-40(32)47)45(29)49(3,4)46-30(2)28-38-36(46)20-14-26-44(38)48-41-23-11-7-17-33(41)34-18-8-12-24-42(34)48;1-25-23-31-29(13-9-17-35(31)39-21-19-27-11-5-7-15-33(27)39)37(25)41(3,4)38-26(2)24-32-30(38)14-10-18-36(32)40-22-20-28-12-6-8-16-34(28)40;1-21-19-25-23(11-9-13-27(25)31-15-5-6-16-31)29(21)33(3,4)30-22(2)20-26-24(30)12-10-14-28(26)32-17-7-8-18-32;;;;;;;;;;;;;;;/h5-26,29-30,35-38,45-46H,27-28H2,1-4H3;5-22,25-26,29-32,37-38H,23-24H2,1-4H3;5-18,21-26,29-30H,19-20H2,1-4H3;8*1H3;4*1H;;;/q;;;8*-1;;;;;3*+4/p-4
InChIKeyBFGFQXCEQOGTFW-UHFFFAOYSA-J
XLogP36.69
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002200.33
LogP ≤ 536.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(4-carbazol-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(4-indol-1-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis(2-methyl-4-pyrrol-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;zirconium(4+) with MolForge

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Related Compounds

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9-(6-methylcyclohexa-1,3-dien-1-yl)carbazole
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2-indol-1-yl-5-(2-phenylquinazolin-4-yl)benzo[b]carbazole
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9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole
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CID 68997324
9-(4-chloro-5a,9a-dihydrodibenzofuran-2-yl)carbazole
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9-[4-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
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5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole
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Frequently Asked Questions

What is the IUPAC name of bis(4-carbazol-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(4-indol-1-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis(2-methyl-4-pyrrol-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;zirconium(4+)?
The IUPAC name of bis(4-carbazol-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(4-indol-1-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis(2-methyl-4-pyrrol-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;zirconium(4+) (CID 162298066) is bis(4-carbazol-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(4-indol-1-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis(2-methyl-4-pyrrol-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;zirconium(4+).
What is the SMILES notation for bis(4-carbazol-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(4-indol-1-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis(2-methyl-4-pyrrol-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;zirconium(4+)?
The canonical SMILES for bis(4-carbazol-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(4-indol-1-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis(2-methyl-4-pyrrol-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;zirconium(4+) is CC1CC2C(n3c4ccccc4c4ccccc43)=CC=CC2C1[Si](C)(C)C1C(C)CC2C(n3c4ccccc4c4ccccc43)=CC=CC21.CC1CC2C(n3ccc4ccccc43)=CC=CC2C1[Si](C)(C)C1C(C)CC2C(n3ccc4ccccc43)=CC=CC21.CC1CC2C(n3cccc3)=CC=CC2C1[Si](C)(C)C1C(C)CC2C(n3cccc3)=CC=CC21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4].
What is the InChIKey of bis(4-carbazol-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(4-indol-1-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis(2-methyl-4-pyrrol-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;zirconium(4+)?
The InChIKey is BFGFQXCEQOGTFW-UHFFFAOYSA-J. The full InChI is InChI=1S/C46H46N2Si.C38H42N2Si.C30H38N2Si.8CH3.4ClH.3Zr/c1-29-27-37-35(19-13-25-43(37)47-39-21-9-5-15-31(39)32-16-6-10-22-40(32)47)45(29)49(3,4)46-30(2)28-38-36(46)20-14-26-44(38)48-41-23-11-7-17-33(41)34-18-8-12-24-42(34)48;1-25-23-31-29(13-9-17-35(31)39-21-19-27-11-5-7-15-33(27)39)37(25)41(3,4)38-26(2)24-32-30(38)14-10-18-36(32)40-22-20-28-12-6-8-16-34(28)40;1-21-19-25-23(11-9-13-27(25)31-15-5-6-16-31)29(21)33(3,4)30-22(2)20-26-24(30)12-10-14-28(26)32-17-7-8-18-32;;;;;;;;;;;;;;;/h5-26,29-30,35-38,45-46H,27-28H2,1-4H3;5-22,25-26,29-32,37-38H,23-24H2,1-4H3;5-18,21-26,29-30H,19-20H2,1-4H3;8*1H3;4*1H;;;/q;;;8*-1;;;;;3*+4/p-4.
What are the key properties of bis(4-carbazol-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(4-indol-1-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis(2-methyl-4-pyrrol-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;zirconium(4+)?
bis(4-carbazol-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(4-indol-1-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis(2-methyl-4-pyrrol-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;zirconium(4+) has a molecular weight of 2200.33 g/mol, XLogP of 36.69, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-carbazol-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;bis(4-indol-1-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;bis(dichlorozirconium(2+));dimethyl-bis(2-methyl-4-pyrrol-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;zirconium(4+) is sourced from PubChem (CID 162298066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).