[bis(2,4,6-trimethylbenzoyl)-[2,4,6-tris(oxomethylidene)-3,5-bis[tris(2,4,6-trimethylbenzoyl)germyl]cyclohexyl]germyl]-(2,4,6-trimethylphenyl)methanone

C99H102Ge3O12 — CID 156759479

IUPAC[bis(2,4,6-trimethylbenzoyl)-[2,4,6-tris(oxomethylidene)-3,5-bis[tris(2,4,6-trimethylbenzoyl)germyl]cyclohexyl]germyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)[Ge](C(=O)c2c(C)cc(C)cc2C)(C(=O)c2c(C)cc(C)cc2C)C2C(=C=O)C([Ge](C(=O)c3c(C)cc(C)cc3C)(C(=O)c3c(C)cc(C)cc3C)C(=O)c3c(C)cc(C)cc3C)C(=C=O)C([Ge](C(=O)c3c(C)cc(C)cc3C)(C(=O)c3c(C)cc(C)cc3C)C(=O)c3c(C)cc(C)cc3C)C2=C=O)c(C)c1
InChIInChI=1S/C99H102Ge3O12/c1-49-28-58(10)79(59(11)29-49)91(106)100(92(107)80-60(12)30-50(2)31-61(80)13,93(108)81-62(14)32-51(3)33-63(81)15)88-76(46-103)89(101(94(109)82-64(16)34-52(4)35-65(82)17,95(110)83-66(18)36-53(5)37-67(83)19)96(111)84-68(20)38-54(6)39-69(84)21)78(48-105)90(77(88)47-104)102(97(112)85-70(22)40-55(7)41-71(85)23,98(113)86-72(24)42-56(8)43-73(86)25)99(114)87-74(26)44-57(9)45-75(87)27/h28-45,88-90H,1-27H3
InChIKeyGWBFDGGCRGTMQI-UHFFFAOYSA-N
MW1701.72 g/mol
LogP19.86
Rot. Bonds21

About [bis(2,4,6-trimethylbenzoyl)-[2,4,6-tris(oxomethylidene)-3,5-bis[tris(2,4,6-trimethylbenzoyl)germyl]cyclohexyl]germyl]-(2,4,6-trimethylphenyl)methanone

[bis(2,4,6-trimethylbenzoyl)-[2,4,6-tris(oxomethylidene)-3,5-bis[tris(2,4,6-trimethylbenzoyl)germyl]cyclohexyl]germyl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 156759479) has the molecular formula C99H102Ge3O12 and a molecular weight of 1701.72 g/mol. Its IUPAC name is [bis(2,4,6-trimethylbenzoyl)-[2,4,6-tris(oxomethylidene)-3,5-bis[tris(2,4,6-trimethylbenzoyl)germyl]cyclohexyl]germyl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[bis(2,4,6-trimethylbenzoyl)-[2,4,6-tris(oxomethylidene)-3,5-bis[tris(2,4,6-trimethylbenzoyl)germyl]cyclohexyl]germyl]-(2,4,6-trimethylphenyl)methanone
PubChem CID156759479
Molecular FormulaC99H102Ge3O12
Molecular Weight1701.72 g/mol
Exact Mass1704.50
IUPAC Name[bis(2,4,6-trimethylbenzoyl)-[2,4,6-tris(oxomethylidene)-3,5-bis[tris(2,4,6-trimethylbenzoyl)germyl]cyclohexyl]germyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)[Ge](C(=O)c2c(C)cc(C)cc2C)(C(=O)c2c(C)cc(C)cc2C)C2C(=C=O)C([Ge](C(=O)c3c(C)cc(C)cc3C)(C(=O)c3c(C)cc(C)cc3C)C(=O)c3c(C)cc(C)cc3C)C(=C=O)C([Ge](C(=O)c3c(C)cc(C)cc3C)(C(=O)c3c(C)cc(C)cc3C)C(=O)c3c(C)cc(C)cc3C)C2=C=O)c(C)c1
InChIInChI=1S/C99H102Ge3O12/c1-49-28-58(10)79(59(11)29-49)91(106)100(92(107)80-60(12)30-50(2)31-61(80)13,93(108)81-62(14)32-51(3)33-63(81)15)88-76(46-103)89(101(94(109)82-64(16)34-52(4)35-65(82)17,95(110)83-66(18)36-53(5)37-67(83)19)96(111)84-68(20)38-54(6)39-69(84)21)78(48-105)90(77(88)47-104)102(97(112)85-70(22)40-55(7)41-71(85)23,98(113)86-72(24)42-56(8)43-73(86)25)99(114)87-74(26)44-57(9)45-75(87)27/h28-45,88-90H,1-27H3
InChIKeyGWBFDGGCRGTMQI-UHFFFAOYSA-N
XLogP19.86
TPSA204.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001701.72
LogP ≤ 519.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

Analyze [bis(2,4,6-trimethylbenzoyl)-[2,4,6-tris(oxomethylidene)-3,5-bis[tris(2,4,6-trimethylbenzoyl)germyl]cyclohexyl]germyl]-(2,4,6-trimethylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [bis(2,4,6-trimethylbenzoyl)-[2,4,6-tris(oxomethylidene)-3,5-bis[tris(2,4,6-trimethylbenzoyl)germyl]cyclohexyl]germyl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [bis(2,4,6-trimethylbenzoyl)-[2,4,6-tris(oxomethylidene)-3,5-bis[tris(2,4,6-trimethylbenzoyl)germyl]cyclohexyl]germyl]-(2,4,6-trimethylphenyl)methanone (CID 156759479) is [bis(2,4,6-trimethylbenzoyl)-[2,4,6-tris(oxomethylidene)-3,5-bis[tris(2,4,6-trimethylbenzoyl)germyl]cyclohexyl]germyl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [bis(2,4,6-trimethylbenzoyl)-[2,4,6-tris(oxomethylidene)-3,5-bis[tris(2,4,6-trimethylbenzoyl)germyl]cyclohexyl]germyl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [bis(2,4,6-trimethylbenzoyl)-[2,4,6-tris(oxomethylidene)-3,5-bis[tris(2,4,6-trimethylbenzoyl)germyl]cyclohexyl]germyl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)[Ge](C(=O)c2c(C)cc(C)cc2C)(C(=O)c2c(C)cc(C)cc2C)C2C(=C=O)C([Ge](C(=O)c3c(C)cc(C)cc3C)(C(=O)c3c(C)cc(C)cc3C)C(=O)c3c(C)cc(C)cc3C)C(=C=O)C([Ge](C(=O)c3c(C)cc(C)cc3C)(C(=O)c3c(C)cc(C)cc3C)C(=O)c3c(C)cc(C)cc3C)C2=C=O)c(C)c1.
What is the InChIKey of [bis(2,4,6-trimethylbenzoyl)-[2,4,6-tris(oxomethylidene)-3,5-bis[tris(2,4,6-trimethylbenzoyl)germyl]cyclohexyl]germyl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is GWBFDGGCRGTMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H102Ge3O12/c1-49-28-58(10)79(59(11)29-49)91(106)100(92(107)80-60(12)30-50(2)31-61(80)13,93(108)81-62(14)32-51(3)33-63(81)15)88-76(46-103)89(101(94(109)82-64(16)34-52(4)35-65(82)17,95(110)83-66(18)36-53(5)37-67(83)19)96(111)84-68(20)38-54(6)39-69(84)21)78(48-105)90(77(88)47-104)102(97(112)85-70(22)40-55(7)41-71(85)23,98(113)86-72(24)42-56(8)43-73(86)25)99(114)87-74(26)44-57(9)45-75(87)27/h28-45,88-90H,1-27H3.
What are the key properties of [bis(2,4,6-trimethylbenzoyl)-[2,4,6-tris(oxomethylidene)-3,5-bis[tris(2,4,6-trimethylbenzoyl)germyl]cyclohexyl]germyl]-(2,4,6-trimethylphenyl)methanone?
[bis(2,4,6-trimethylbenzoyl)-[2,4,6-tris(oxomethylidene)-3,5-bis[tris(2,4,6-trimethylbenzoyl)germyl]cyclohexyl]germyl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 1701.72 g/mol, XLogP of 19.86, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(2,4,6-trimethylbenzoyl)-[2,4,6-tris(oxomethylidene)-3,5-bis[tris(2,4,6-trimethylbenzoyl)germyl]cyclohexyl]germyl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 156759479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).