[[2-[4,8-bis[2,6-di(propan-2-yl)phenyl]-8-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-4,8-digermatricyclo[5.1.0.03,5]octa-1(7),2,5-trien-4-yl]-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane

C84H154Ge2Si12 — CID 101355355

IUPAC[[2-[4,8-bis[2,6-di(propan-2-yl)phenyl]-8-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-4,8-digermatricyclo[5.1.0.03,5]octa-1(7),2,5-trien-4-yl]-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane
SMILESCC(C)c1cccc(C(C)C)c1[Ge]1(c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)c2cc3c(cc21)[Ge]3(c1c(C(C)C)cccc1C(C)C)c1c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc1C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C84H154Ge2Si12/c1-57(2)63-47-45-48-64(58(3)4)75(63)85(77-67(81(91(21,22)23)92(24,25)26)51-61(79(87(9,10)11)88(12,13)14)52-68(77)82(93(27,28)29)94(30,31)32)71-55-73-74(56-72(71)85)86(73,76-65(59(5)6)49-46-50-66(76)60(7)8)78-69(83(95(33,34)35)96(36,37)38)53-62(80(89(15,16)17)90(18,19)20)54-70(78)84(97(39,40)41)98(42,43)44/h45-60,79-84H,1-44H3
InChIKeyQIZCAWSCZHCKSQ-UHFFFAOYSA-N
MW1646.41 g/mol
LogP22.59
Rot. Bonds26

About [[2-[4,8-bis[2,6-di(propan-2-yl)phenyl]-8-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-4,8-digermatricyclo[5.1.0.03,5]octa-1(7),2,5-trien-4-yl]-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane

[[2-[4,8-bis[2,6-di(propan-2-yl)phenyl]-8-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-4,8-digermatricyclo[5.1.0.03,5]octa-1(7),2,5-trien-4-yl]-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane (PubChem CID 101355355) has the molecular formula C84H154Ge2Si12 and a molecular weight of 1646.41 g/mol. Its IUPAC name is [[2-[4,8-bis[2,6-di(propan-2-yl)phenyl]-8-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-4,8-digermatricyclo[5.1.0.03,5]octa-1(7),2,5-trien-4-yl]-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane.

Molecular Properties

Compound Name[[2-[4,8-bis[2,6-di(propan-2-yl)phenyl]-8-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-4,8-digermatricyclo[5.1.0.03,5]octa-1(7),2,5-trien-4-yl]-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane
PubChem CID101355355
Molecular FormulaC84H154Ge2Si12
Molecular Weight1646.41 g/mol
Exact Mass1646.77
IUPAC Name[[2-[4,8-bis[2,6-di(propan-2-yl)phenyl]-8-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-4,8-digermatricyclo[5.1.0.03,5]octa-1(7),2,5-trien-4-yl]-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane
SMILESCC(C)c1cccc(C(C)C)c1[Ge]1(c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)c2cc3c(cc21)[Ge]3(c1c(C(C)C)cccc1C(C)C)c1c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc1C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C84H154Ge2Si12/c1-57(2)63-47-45-48-64(58(3)4)75(63)85(77-67(81(91(21,22)23)92(24,25)26)51-61(79(87(9,10)11)88(12,13)14)52-68(77)82(93(27,28)29)94(30,31)32)71-55-73-74(56-72(71)85)86(73,76-65(59(5)6)49-46-50-66(76)60(7)8)78-69(83(95(33,34)35)96(36,37)38)53-62(80(89(15,16)17)90(18,19)20)54-70(78)84(97(39,40)41)98(42,43)44/h45-60,79-84H,1-44H3
InChIKeyQIZCAWSCZHCKSQ-UHFFFAOYSA-N
XLogP22.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001646.41
LogP ≤ 522.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [[2-[4,8-bis[2,6-di(propan-2-yl)phenyl]-8-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-4,8-digermatricyclo[5.1.0.03,5]octa-1(7),2,5-trien-4-yl]-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [[2-[4,8-bis[2,6-di(propan-2-yl)phenyl]-8-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-4,8-digermatricyclo[5.1.0.03,5]octa-1(7),2,5-trien-4-yl]-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The IUPAC name of [[2-[4,8-bis[2,6-di(propan-2-yl)phenyl]-8-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-4,8-digermatricyclo[5.1.0.03,5]octa-1(7),2,5-trien-4-yl]-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane (CID 101355355) is [[2-[4,8-bis[2,6-di(propan-2-yl)phenyl]-8-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-4,8-digermatricyclo[5.1.0.03,5]octa-1(7),2,5-trien-4-yl]-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane.
What is the SMILES notation for [[2-[4,8-bis[2,6-di(propan-2-yl)phenyl]-8-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-4,8-digermatricyclo[5.1.0.03,5]octa-1(7),2,5-trien-4-yl]-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The canonical SMILES for [[2-[4,8-bis[2,6-di(propan-2-yl)phenyl]-8-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-4,8-digermatricyclo[5.1.0.03,5]octa-1(7),2,5-trien-4-yl]-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane is CC(C)c1cccc(C(C)C)c1[Ge]1(c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)c2cc3c(cc21)[Ge]3(c1c(C(C)C)cccc1C(C)C)c1c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc1C([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [[2-[4,8-bis[2,6-di(propan-2-yl)phenyl]-8-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-4,8-digermatricyclo[5.1.0.03,5]octa-1(7),2,5-trien-4-yl]-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The InChIKey is QIZCAWSCZHCKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H154Ge2Si12/c1-57(2)63-47-45-48-64(58(3)4)75(63)85(77-67(81(91(21,22)23)92(24,25)26)51-61(79(87(9,10)11)88(12,13)14)52-68(77)82(93(27,28)29)94(30,31)32)71-55-73-74(56-72(71)85)86(73,76-65(59(5)6)49-46-50-66(76)60(7)8)78-69(83(95(33,34)35)96(36,37)38)53-62(80(89(15,16)17)90(18,19)20)54-70(78)84(97(39,40)41)98(42,43)44/h45-60,79-84H,1-44H3.
What are the key properties of [[2-[4,8-bis[2,6-di(propan-2-yl)phenyl]-8-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-4,8-digermatricyclo[5.1.0.03,5]octa-1(7),2,5-trien-4-yl]-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
[[2-[4,8-bis[2,6-di(propan-2-yl)phenyl]-8-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-4,8-digermatricyclo[5.1.0.03,5]octa-1(7),2,5-trien-4-yl]-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane has a molecular weight of 1646.41 g/mol, XLogP of 22.59, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[4,8-bis[2,6-di(propan-2-yl)phenyl]-8-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]-4,8-digermatricyclo[5.1.0.03,5]octa-1(7),2,5-trien-4-yl]-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane is sourced from PubChem (CID 101355355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).