[3,5-bis[tris(2,4,6-trimethylbenzoyl)germylcarbonyl]phenyl]-tris(2,4,6-trimethylbenzoyl)germylmethanone

C99H102Ge3O12 — CID 157470244

IUPAC[3,5-bis[tris(2,4,6-trimethylbenzoyl)germylcarbonyl]phenyl]-tris(2,4,6-trimethylbenzoyl)germylmethanone
SMILESCc1cc(C)c(C(=O)[Ge](C(=O)c2cc(C(=O)[Ge](C(=O)c3c(C)cc(C)cc3C)(C(=O)c3c(C)cc(C)cc3C)C(=O)c3c(C)cc(C)cc3C)cc(C(=O)[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)c2c(C)cc(C)cc2C)C(=O)c2c(C)cc(C)cc2C)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(103)76-46-77(89(104)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)48-78(47-76)90(105)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/h28-48H,1-27H3
InChIKeyHLARZBSSTODSHN-UHFFFAOYSA-N
MW1701.72 g/mol
LogP20.32
Rot. Bonds24

About [3,5-bis[tris(2,4,6-trimethylbenzoyl)germylcarbonyl]phenyl]-tris(2,4,6-trimethylbenzoyl)germylmethanone

[3,5-bis[tris(2,4,6-trimethylbenzoyl)germylcarbonyl]phenyl]-tris(2,4,6-trimethylbenzoyl)germylmethanone (PubChem CID 157470244) has the molecular formula C99H102Ge3O12 and a molecular weight of 1701.72 g/mol. Its IUPAC name is [3,5-bis[tris(2,4,6-trimethylbenzoyl)germylcarbonyl]phenyl]-tris(2,4,6-trimethylbenzoyl)germylmethanone.

Molecular Properties

Compound Name[3,5-bis[tris(2,4,6-trimethylbenzoyl)germylcarbonyl]phenyl]-tris(2,4,6-trimethylbenzoyl)germylmethanone
PubChem CID157470244
Molecular FormulaC99H102Ge3O12
Molecular Weight1701.72 g/mol
Exact Mass1704.50
IUPAC Name[3,5-bis[tris(2,4,6-trimethylbenzoyl)germylcarbonyl]phenyl]-tris(2,4,6-trimethylbenzoyl)germylmethanone
SMILESCc1cc(C)c(C(=O)[Ge](C(=O)c2cc(C(=O)[Ge](C(=O)c3c(C)cc(C)cc3C)(C(=O)c3c(C)cc(C)cc3C)C(=O)c3c(C)cc(C)cc3C)cc(C(=O)[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)c2c(C)cc(C)cc2C)C(=O)c2c(C)cc(C)cc2C)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(103)76-46-77(89(104)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)48-78(47-76)90(105)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/h28-48H,1-27H3
InChIKeyHLARZBSSTODSHN-UHFFFAOYSA-N
XLogP20.32
TPSA204.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001701.72
LogP ≤ 520.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

[3,5-bis[tris(2,4,6-trimethylbenzoyl)germylcarbonyl]phenyl]-tris(2,4,6-trimethylbenzoyl)germylmethanone;[(2,6-dimethylbenzoyl)-bis(2,4,6-trimethylbenzoyl)germyl]-[4-tris(2,4,6-trimethylbenzoyl)germylcarbonylphenyl]methanone;tris(2,6-dimethylbenzoyl)germyl-[4-tris(2,6-dimethylbenzoyl)germylcarbonylphenyl]methanone;tris(2-methylbenzoyl)germyl-[4-tris(2-methylbenzoyl)germylcarbonylphenyl]methanone;tris(2,4,6-trimethylbenzoyl)stannyl-[4-tris(2,4,6-trimethylbenzoyl)stannylcarbonylphenyl]methanone
CID 157470239
N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide
CID 869554
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
CID 140911137
CID 140911137
[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
gallium tris(2,4,6-trimethylbenzoate)
CID 22604109
(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 868051
[chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 90240714
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid
CID 175208689
(2,4,6-trimethylbenzoyl)phosphinous acid
CID 69266180

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[tris(2,4,6-trimethylbenzoyl)germylcarbonyl]phenyl]-tris(2,4,6-trimethylbenzoyl)germylmethanone?
The IUPAC name of [3,5-bis[tris(2,4,6-trimethylbenzoyl)germylcarbonyl]phenyl]-tris(2,4,6-trimethylbenzoyl)germylmethanone (CID 157470244) is [3,5-bis[tris(2,4,6-trimethylbenzoyl)germylcarbonyl]phenyl]-tris(2,4,6-trimethylbenzoyl)germylmethanone.
What is the SMILES notation for [3,5-bis[tris(2,4,6-trimethylbenzoyl)germylcarbonyl]phenyl]-tris(2,4,6-trimethylbenzoyl)germylmethanone?
The canonical SMILES for [3,5-bis[tris(2,4,6-trimethylbenzoyl)germylcarbonyl]phenyl]-tris(2,4,6-trimethylbenzoyl)germylmethanone is Cc1cc(C)c(C(=O)[Ge](C(=O)c2cc(C(=O)[Ge](C(=O)c3c(C)cc(C)cc3C)(C(=O)c3c(C)cc(C)cc3C)C(=O)c3c(C)cc(C)cc3C)cc(C(=O)[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)c2c(C)cc(C)cc2C)C(=O)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of [3,5-bis[tris(2,4,6-trimethylbenzoyl)germylcarbonyl]phenyl]-tris(2,4,6-trimethylbenzoyl)germylmethanone?
The InChIKey is HLARZBSSTODSHN-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(103)76-46-77(89(104)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)48-78(47-76)90(105)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/h28-48H,1-27H3.
What are the key properties of [3,5-bis[tris(2,4,6-trimethylbenzoyl)germylcarbonyl]phenyl]-tris(2,4,6-trimethylbenzoyl)germylmethanone?
[3,5-bis[tris(2,4,6-trimethylbenzoyl)germylcarbonyl]phenyl]-tris(2,4,6-trimethylbenzoyl)germylmethanone has a molecular weight of 1701.72 g/mol, XLogP of 20.32, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[tris(2,4,6-trimethylbenzoyl)germylcarbonyl]phenyl]-tris(2,4,6-trimethylbenzoyl)germylmethanone is sourced from PubChem (CID 157470244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).