[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane

C66H90Bi2 — CID 177390862

IUPAC[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane
SMILESCC(C)(C)c1cc(C2=CC=C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C2/[Bi]=[Bi]/C2C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=CC=C2c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1
InChIInChI=1S/2C33H45.2Bi/c2*1-30(2,3)26-16-24(17-27(20-26)31(4,5)6)22-13-14-23(15-22)25-18-28(32(7,8)9)21-29(19-25)33(10,11)12;;/h2*13-21H,1-12H3;;
InChIKeyDZTVRDWYJUBJBO-UHFFFAOYSA-N
MW1301.41 g/mol
LogP18.63
Rot. Bonds6

About [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane

[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane (PubChem CID 177390862) has the molecular formula C66H90Bi2 and a molecular weight of 1301.41 g/mol. Its IUPAC name is [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane.

Molecular Properties

Compound Name[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane
PubChem CID177390862
Molecular FormulaC66H90Bi2
Molecular Weight1301.41 g/mol
Exact Mass1300.67
IUPAC Name[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane
SMILESCC(C)(C)c1cc(C2=CC=C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C2/[Bi]=[Bi]/C2C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=CC=C2c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1
InChIInChI=1S/2C33H45.2Bi/c2*1-30(2,3)26-16-24(17-27(20-26)31(4,5)6)22-13-14-23(15-22)25-18-28(32(7,8)9)21-29(19-25)33(10,11)12;;/h2*13-21H,1-12H3;;
InChIKeyDZTVRDWYJUBJBO-UHFFFAOYSA-N
XLogP18.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001301.41
LogP ≤ 518.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane with MolForge

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Related Compounds

[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane
CID 177442086
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
benzhydrylidene-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]stibane
CID 177413562
1,3-ditert-butyl-5-(3,5-ditert-butylphenyl)benzene;phosphorous acid
CID 162262845
ethane;methane;1,3,5-tritert-butylbenzene
CID 144683024
CID 102196691
CID 102196691
1,3-ditert-butyl-5-[1,1,46,46,46-pentakis(3,5-ditert-butylphenyl)hexatetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-docosaynyl]benzene
CID 46856495
2-(3,5-ditert-butylphenyl)-1-methyl-1H-indene
CID 18406157
CID 102196690
CID 102196690
4-[48-[3,5-bis(3,5-ditert-butylphenyl)-4-pyridinyl]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaynyl]-3,5-bis(3,5-ditert-butylphenyl)pyridine
CID 146681874
1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)
CID 175093014
CID 174992277
CID 174992277

Frequently Asked Questions

What is the IUPAC name of [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane?
The IUPAC name of [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane (CID 177390862) is [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane.
What is the SMILES notation for [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane?
The canonical SMILES for [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane is CC(C)(C)c1cc(C2=CC=C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C2/[Bi]=[Bi]/C2C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=CC=C2c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.
What is the InChIKey of [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane?
The InChIKey is DZTVRDWYJUBJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H45.2Bi/c2*1-30(2,3)26-16-24(17-27(20-26)31(4,5)6)22-13-14-23(15-22)25-18-28(32(7,8)9)21-29(19-25)33(10,11)12;;/h2*13-21H,1-12H3;;.
What are the key properties of [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane?
[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane has a molecular weight of 1301.41 g/mol, XLogP of 18.63, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]-[2,5-bis(3,5-ditert-butylphenyl)cyclopenta-2,4-dien-1-yl]bismuthanylidenebismuthane is sourced from PubChem (CID 177390862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).