N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen

C141H256N2Si2 — CID 162267968

IUPACN-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC1(C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C)C2=CC3C(C=C2c2ccccc21)CC(C)C3[Si](C)(C)N(C(C)(C)C)C(C)(C)C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC1(C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C)C2=CC3C(C=C2c2ccccc21)CCC3[Si](C)(C)N(C(C)(C)C)C(C)(C)C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C71H41NSi.C70H39NSi.88H2/c1-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-52-56-71(57-53-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-2)66-55-51-50-54-63(66)65-59-62-58-61(3)68(64(62)60-67(65)71)73(10,11)72(69(4,5)6)70(7,8)9;1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-51-57-70(58-52-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-2)65-54-50-49-53-62(65)64-59-61-55-56-67(63(61)60-66(64)70)72(9,10)71(68(3,4)5)69(6,7)8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-2,50-51,54-55,59-62,64,68H,58H2,3-11H3;1-2,49-50,53-54,59-61,63,67H,55-56H2,3-10H3;88*1H
InChIKeyAYPACSXSGNDXJT-UHFFFAOYSA-N
MW2035.79 g/mol
LogP36.09
Rot. Bonds4

About N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen

N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen (PubChem CID 162267968) has the molecular formula C141H256N2Si2 and a molecular weight of 2035.79 g/mol. Its IUPAC name is N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen
PubChem CID162267968
Molecular FormulaC141H256N2Si2
Molecular Weight2035.79 g/mol
Exact Mass2033.96
IUPAC NameN-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC1(C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C)C2=CC3C(C=C2c2ccccc21)CC(C)C3[Si](C)(C)N(C(C)(C)C)C(C)(C)C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC1(C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C)C2=CC3C(C=C2c2ccccc21)CCC3[Si](C)(C)N(C(C)(C)C)C(C)(C)C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C71H41NSi.C70H39NSi.88H2/c1-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-52-56-71(57-53-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-2)66-55-51-50-54-63(66)65-59-62-58-61(3)68(64(62)60-67(65)71)73(10,11)72(69(4,5)6)70(7,8)9;1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-51-57-70(58-52-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-2)65-54-50-49-53-62(65)64-59-61-55-56-67(63(61)60-66(64)70)72(9,10)71(68(3,4)5)69(6,7)8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-2,50-51,54-55,59-62,64,68H,58H2,3-11H3;1-2,49-50,53-54,59-61,63,67H,55-56H2,3-10H3;88*1H
InChIKeyAYPACSXSGNDXJT-UHFFFAOYSA-N
XLogP36.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms145
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002035.79
LogP ≤ 536.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen?
The IUPAC name of N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen (CID 162267968) is N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen.
What is the SMILES notation for N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen?
The canonical SMILES for N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC1(C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C)C2=CC3C(C=C2c2ccccc21)CC(C)C3[Si](C)(C)N(C(C)(C)C)C(C)(C)C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC1(C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C)C2=CC3C(C=C2c2ccccc21)CCC3[Si](C)(C)N(C(C)(C)C)C(C)(C)C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen?
The InChIKey is AYPACSXSGNDXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H41NSi.C70H39NSi.88H2/c1-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-52-56-71(57-53-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-2)66-55-51-50-54-63(66)65-59-62-58-61(3)68(64(62)60-67(65)71)73(10,11)72(69(4,5)6)70(7,8)9;1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-51-57-70(58-52-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-2)65-54-50-49-53-62(65)64-59-61-55-56-67(63(61)60-66(64)70)72(9,10)71(68(3,4)5)69(6,7)8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-2,50-51,54-55,59-62,64,68H,58H2,3-11H3;1-2,49-50,53-54,59-61,63,67H,55-56H2,3-10H3;88*1H.
What are the key properties of N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen?
N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen has a molecular weight of 2035.79 g/mol, XLogP of 36.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;N-[[9,9-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl)-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-N-tert-butyl-2-methylpropan-2-amine;molecular hydrogen is sourced from PubChem (CID 162267968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).