tris(9-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(9-[1-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);carbanide;bis(dichlorozirconium(2+));methane;methanidylbenzene;tetrakis(zirconium(4+))

C216H294Cl4Zr6 — CID 162269314

IUPACtris(9-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(9-[1-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);carbanide;bis(dichlorozirconium(2+));methane;methanidylbenzene;tetrakis(zirconium(4+))
SMILESC.C.C.C.C=CCCC(CC1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1CCC2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1CCC2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1CCC2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4].[Zr+4].[Zr+4].[Zr+4]
InChIInChI=1S/3C32H36.3C28H34.2C7H7.4CH4.18CH3.4ClH.6Zr/c3*1-2-3-12-22(32-29-19-10-8-15-25(29)26-16-9-11-20-30(26)32)21-31-27-17-6-4-13-23(27)24-14-5-7-18-28(24)31;3*1-2-3-10-22(19-21-18-17-20-11-4-5-12-23(20)21)28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28;2*1-7-5-3-2-4-6-7;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*2,4-11,13-20,22-32H,1,3,12,21H2;3*2,4-9,11-16,20-28H,1,3,10,17-19H2;2*2-6H,1H2;4*1H4;18*1H3;4*1H;;;;;;/q;;;;;;2*-1;;;;;18*-1;;;;;6*+4/p-4
InChIKeyFMWFUPILURHQSL-UHFFFAOYSA-J
MW3579.88 g/mol
LogP61.31
Rot. Bonds36

About tris(9-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(9-[1-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);carbanide;bis(dichlorozirconium(2+));methane;methanidylbenzene;tetrakis(zirconium(4+))

tris(9-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(9-[1-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);carbanide;bis(dichlorozirconium(2+));methane;methanidylbenzene;tetrakis(zirconium(4+)) (PubChem CID 162269314) has the molecular formula C216H294Cl4Zr6 and a molecular weight of 3579.88 g/mol. Its IUPAC name is tris(9-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(9-[1-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);carbanide;bis(dichlorozirconium(2+));methane;methanidylbenzene;tetrakis(zirconium(4+)).

Molecular Properties

Compound Nametris(9-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(9-[1-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);carbanide;bis(dichlorozirconium(2+));methane;methanidylbenzene;tetrakis(zirconium(4+))
PubChem CID162269314
Molecular FormulaC216H294Cl4Zr6
Molecular Weight3579.88 g/mol
Exact Mass3567.60
IUPAC Nametris(9-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(9-[1-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);carbanide;bis(dichlorozirconium(2+));methane;methanidylbenzene;tetrakis(zirconium(4+))
SMILESC.C.C.C.C=CCCC(CC1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1CCC2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1CCC2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1CCC2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4].[Zr+4].[Zr+4].[Zr+4]
InChIInChI=1S/3C32H36.3C28H34.2C7H7.4CH4.18CH3.4ClH.6Zr/c3*1-2-3-12-22(32-29-19-10-8-15-25(29)26-16-9-11-20-30(26)32)21-31-27-17-6-4-13-23(27)24-14-5-7-18-28(24)31;3*1-2-3-10-22(19-21-18-17-20-11-4-5-12-23(20)21)28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28;2*1-7-5-3-2-4-6-7;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*2,4-11,13-20,22-32H,1,3,12,21H2;3*2,4-9,11-16,20-28H,1,3,10,17-19H2;2*2-6H,1H2;4*1H4;18*1H3;4*1H;;;;;;/q;;;;;;2*-1;;;;;18*-1;;;;;6*+4/p-4
InChIKeyFMWFUPILURHQSL-UHFFFAOYSA-J
XLogP61.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms226
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003579.88
LogP ≤ 561.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tris(9-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(9-[1-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);carbanide;bis(dichlorozirconium(2+));methane;methanidylbenzene;tetrakis(zirconium(4+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(9-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(9-[1-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);carbanide;bis(dichlorozirconium(2+));methane;methanidylbenzene;tetrakis(zirconium(4+))?
The IUPAC name of tris(9-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(9-[1-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);carbanide;bis(dichlorozirconium(2+));methane;methanidylbenzene;tetrakis(zirconium(4+)) (CID 162269314) is tris(9-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(9-[1-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);carbanide;bis(dichlorozirconium(2+));methane;methanidylbenzene;tetrakis(zirconium(4+)).
What is the SMILES notation for tris(9-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(9-[1-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);carbanide;bis(dichlorozirconium(2+));methane;methanidylbenzene;tetrakis(zirconium(4+))?
The canonical SMILES for tris(9-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(9-[1-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);carbanide;bis(dichlorozirconium(2+));methane;methanidylbenzene;tetrakis(zirconium(4+)) is C.C.C.C.C=CCCC(CC1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1CCC2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1CCC2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1CCC2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4].[Zr+4].[Zr+4].[Zr+4].
What is the InChIKey of tris(9-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(9-[1-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);carbanide;bis(dichlorozirconium(2+));methane;methanidylbenzene;tetrakis(zirconium(4+))?
The InChIKey is FMWFUPILURHQSL-UHFFFAOYSA-J. The full InChI is InChI=1S/3C32H36.3C28H34.2C7H7.4CH4.18CH3.4ClH.6Zr/c3*1-2-3-12-22(32-29-19-10-8-15-25(29)26-16-9-11-20-30(26)32)21-31-27-17-6-4-13-23(27)24-14-5-7-18-28(24)31;3*1-2-3-10-22(19-21-18-17-20-11-4-5-12-23(20)21)28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28;2*1-7-5-3-2-4-6-7;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*2,4-11,13-20,22-32H,1,3,12,21H2;3*2,4-9,11-16,20-28H,1,3,10,17-19H2;2*2-6H,1H2;4*1H4;18*1H3;4*1H;;;;;;/q;;;;;;2*-1;;;;;18*-1;;;;;6*+4/p-4.
What are the key properties of tris(9-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(9-[1-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);carbanide;bis(dichlorozirconium(2+));methane;methanidylbenzene;tetrakis(zirconium(4+))?
tris(9-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(9-[1-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);carbanide;bis(dichlorozirconium(2+));methane;methanidylbenzene;tetrakis(zirconium(4+)) has a molecular weight of 3579.88 g/mol, XLogP of 61.31, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(9-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(9-[1-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);carbanide;bis(dichlorozirconium(2+));methane;methanidylbenzene;tetrakis(zirconium(4+)) is sourced from PubChem (CID 162269314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).