7-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-7-[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]hexathiagermepane

C60H74GeS6 — CID 101081088

IUPAC7-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-7-[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]hexathiagermepane
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[Ge]2(c3c(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cccc3-c3c(C(C)C)cc(C(C)C)cc3C(C)C)SSSSSS2)c(C)c1
InChIInChI=1S/C60H74GeS6/c1-33(2)45-29-51(35(5)6)57(52(30-45)36(7)8)49-23-20-24-50(58-53(37(9)10)31-46(34(3)4)32-54(58)38(11)12)60(49)61(62-64-66-67-65-63-61)59-47(55-41(15)25-39(13)26-42(55)16)21-19-22-48(59)56-43(17)27-40(14)28-44(56)18/h19-38H,1-18H3
InChIKeyRSXXICJBHAWSAX-UHFFFAOYSA-N
MW1060.26 g/mol
LogP20.49
Rot. Bonds12

About 7-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-7-[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]hexathiagermepane

7-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-7-[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]hexathiagermepane (PubChem CID 101081088) has the molecular formula C60H74GeS6 and a molecular weight of 1060.26 g/mol. Its IUPAC name is 7-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-7-[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]hexathiagermepane.

Molecular Properties

Compound Name7-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-7-[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]hexathiagermepane
PubChem CID101081088
Molecular FormulaC60H74GeS6
Molecular Weight1060.26 g/mol
Exact Mass1060.33
IUPAC Name7-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-7-[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]hexathiagermepane
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[Ge]2(c3c(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cccc3-c3c(C(C)C)cc(C(C)C)cc3C(C)C)SSSSSS2)c(C)c1
InChIInChI=1S/C60H74GeS6/c1-33(2)45-29-51(35(5)6)57(52(30-45)36(7)8)49-23-20-24-50(58-53(37(9)10)31-46(34(3)4)32-54(58)38(11)12)60(49)61(62-64-66-67-65-63-61)59-47(55-41(15)25-39(13)26-42(55)16)21-19-22-48(59)56-43(17)27-40(14)28-44(56)18/h19-38H,1-18H3
InChIKeyRSXXICJBHAWSAX-UHFFFAOYSA-N
XLogP20.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.26
LogP ≤ 520.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 15486274
CID 15486274
tetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium)
CID 175358759
2-(3,5-dimethylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 123164700
1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene
CID 91568727
CID 137158148
CID 137158148
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
CID 134905872
CID 134905872
1-[2,4,6-tri(propan-2-yl)phenyl]-9H-carbazole
CID 175005160
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane
CID 139466257
dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane
CID 70670127
13,28-bis(2,4,6-trimethylphenyl)-5,20-dithiaoctacyclo[14.14.0.03,14.04,12.06,11.018,29.019,27.021,26]triaconta-1(30),2,4(12),6,8,10,13,15,17,19(27),21,23,25,28-tetradecaene;13,28-bis(2,4,6-trimethylphenyl)-11,26-dithiaoctacyclo[14.14.0.03,14.04,12.05,10.018,29.019,27.020,25]triaconta-1(30),2,4(12),5,7,9,13,15,17,19(27),20,22,24,28-tetradecaene;13,28-bis[2,4,6-tri(propan-2-yl)phenyl]-5,20-dithiaoctacyclo[14.14.0.03,14.04,12.06,11.018,29.019,27.021,26]triaconta-1(30),2,4(12),6,8,10,13,15,17,19(27),21,23,25,28-tetradecaene;13,28-bis[2,4,6-tri(propan-2-yl)phenyl]-11,26-dithiaoctacyclo[14.14.0.03,14.04,12.05,10.018,29.019,27.020,25]triaconta-1(30),2,4(12),5,7,9,13,15,17,19(27),20,22,24,28-tetradecaene
CID 161447859
2,2,8,8-tetramethyl-1-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphocane
CID 58067321

Frequently Asked Questions

What is the IUPAC name of 7-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-7-[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]hexathiagermepane?
The IUPAC name of 7-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-7-[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]hexathiagermepane (CID 101081088) is 7-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-7-[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]hexathiagermepane.
What is the SMILES notation for 7-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-7-[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]hexathiagermepane?
The canonical SMILES for 7-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-7-[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]hexathiagermepane is Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[Ge]2(c3c(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cccc3-c3c(C(C)C)cc(C(C)C)cc3C(C)C)SSSSSS2)c(C)c1.
What is the InChIKey of 7-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-7-[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]hexathiagermepane?
The InChIKey is RSXXICJBHAWSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H74GeS6/c1-33(2)45-29-51(35(5)6)57(52(30-45)36(7)8)49-23-20-24-50(58-53(37(9)10)31-46(34(3)4)32-54(58)38(11)12)60(49)61(62-64-66-67-65-63-61)59-47(55-41(15)25-39(13)26-42(55)16)21-19-22-48(59)56-43(17)27-40(14)28-44(56)18/h19-38H,1-18H3.
What are the key properties of 7-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-7-[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]hexathiagermepane?
7-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-7-[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]hexathiagermepane has a molecular weight of 1060.26 g/mol, XLogP of 20.49, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-7-[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]hexathiagermepane is sourced from PubChem (CID 101081088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).