bis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane

C88H110GeS — CID 177441147

IUPACbis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)C1c2cc4c(cc2C3([Ge](=S)C23c5cc6c(cc5C(c5cc7c(cc52)C(C)(C)CCC7(C)C)c2cc5c(cc23)C(C)(C)CCC5(C)C)C(C)(C)CCC6(C)C)c2cc3c(cc21)C(C)(C)CCC3(C)C)C(C)(C)CCC4(C)C
InChIInChI=1S/C88H110GeS/c1-75(2)25-31-81(13,14)67-43-55-49(37-61(67)75)73-50-38-62-68(82(15,16)32-26-76(62,3)4)44-56(50)87(55,57-45-69-63(39-51(57)73)77(5,6)27-33-83(69,17)18)89(90)88-58-46-70-64(78(7,8)28-34-84(70,19)20)40-52(58)74(53-41-65-71(47-59(53)88)85(21,22)35-29-79(65,9)10)54-42-66-72(48-60(54)88)86(23,24)36-30-80(66,11)12/h37-48,73-74H,25-36H2,1-24H3
InChIKeyOAWPARWGOOTGIM-UHFFFAOYSA-N
MW1272.52 g/mol
LogP23.03
Rot. Bonds2

About bis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane

bis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane (PubChem CID 177441147) has the molecular formula C88H110GeS and a molecular weight of 1272.52 g/mol. Its IUPAC name is bis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane.

Molecular Properties

Compound Namebis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane
PubChem CID177441147
Molecular FormulaC88H110GeS
Molecular Weight1272.52 g/mol
Exact Mass1272.75
IUPAC Namebis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)C1c2cc4c(cc2C3([Ge](=S)C23c5cc6c(cc5C(c5cc7c(cc52)C(C)(C)CCC7(C)C)c2cc5c(cc23)C(C)(C)CCC5(C)C)C(C)(C)CCC6(C)C)c2cc3c(cc21)C(C)(C)CCC3(C)C)C(C)(C)CCC4(C)C
InChIInChI=1S/C88H110GeS/c1-75(2)25-31-81(13,14)67-43-55-49(37-61(67)75)73-50-38-62-68(82(15,16)32-26-76(62,3)4)44-56(50)87(55,57-45-69-63(39-51(57)73)77(5,6)27-33-83(69,17)18)89(90)88-58-46-70-64(78(7,8)28-34-84(70,19)20)40-52(58)74(53-41-65-71(47-59(53)88)85(21,22)35-29-79(65,9)10)54-42-66-72(48-60(54)88)86(23,24)36-30-80(66,11)12/h37-48,73-74H,25-36H2,1-24H3
InChIKeyOAWPARWGOOTGIM-UHFFFAOYSA-N
XLogP23.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001272.52
LogP ≤ 523.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze bis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane with MolForge

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Related Compounds

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3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
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(5,5,8,8,16,16,19,19,29,29-decamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23(32),24,30-nonaenyl)-[(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-phenylsilylidene]-phenylsilane
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N,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine
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(6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol
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CID 54193152
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CID 11407726
(2E,4E)-3-methyl-6-(5,5,8,8-tetramethyl-2,3,6,7-tetrahydro-1H-cyclopenta[b]naphthalen-3-yl)hexa-2,4-dienoic acid
CID 87930580

Frequently Asked Questions

What is the IUPAC name of bis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane?
The IUPAC name of bis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane (CID 177441147) is bis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane.
What is the SMILES notation for bis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane?
The canonical SMILES for bis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane is CC1(C)CCC(C)(C)c2cc3c(cc21)C1c2cc4c(cc2C3([Ge](=S)C23c5cc6c(cc5C(c5cc7c(cc52)C(C)(C)CCC7(C)C)c2cc5c(cc23)C(C)(C)CCC5(C)C)C(C)(C)CCC6(C)C)c2cc3c(cc21)C(C)(C)CCC3(C)C)C(C)(C)CCC4(C)C.
What is the InChIKey of bis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane?
The InChIKey is OAWPARWGOOTGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H110GeS/c1-75(2)25-31-81(13,14)67-43-55-49(37-61(67)75)73-50-38-62-68(82(15,16)32-26-76(62,3)4)44-56(50)87(55,57-45-69-63(39-51(57)73)77(5,6)27-33-83(69,17)18)89(90)88-58-46-70-64(78(7,8)28-34-84(70,19)20)40-52(58)74(53-41-65-71(47-59(53)88)85(21,22)35-29-79(65,9)10)54-42-66-72(48-60(54)88)86(23,24)36-30-80(66,11)12/h37-48,73-74H,25-36H2,1-24H3.
What are the key properties of bis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane?
bis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane has a molecular weight of 1272.52 g/mol, XLogP of 23.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane is sourced from PubChem (CID 177441147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).