3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine;ethane

C46H70N2Si — CID 91482457

IUPAC3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine;ethane
SMILESCC.CC.CC.CC.CC(CN(C)C)=C(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)=C(C)CN(C)C)cc2)cc1
InChIInChI=1S/C38H46N2Si.4C2H6/c1-29(27-39(5)6)31(3)33-19-23-37(24-20-33)41(35-15-11-9-12-16-35,36-17-13-10-14-18-36)38-25-21-34(22-26-38)32(4)30(2)28-40(7)8;4*1-2/h9-26H,27-28H2,1-8H3;4*1-2H3
InChIKeyGBQNNNFABUGEEQ-UHFFFAOYSA-N
MW679.17 g/mol
LogP9.88
Rot. Bonds10

About 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine;ethane

3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine;ethane (PubChem CID 91482457) has the molecular formula C46H70N2Si and a molecular weight of 679.17 g/mol. Its IUPAC name is 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine;ethane.

Molecular Properties

Compound Name3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine;ethane
PubChem CID91482457
Molecular FormulaC46H70N2Si
Molecular Weight679.17 g/mol
Exact Mass678.53
IUPAC Name3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine;ethane
SMILESCC.CC.CC.CC.CC(CN(C)C)=C(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)=C(C)CN(C)C)cc2)cc1
InChIInChI=1S/C38H46N2Si.4C2H6/c1-29(27-39(5)6)31(3)33-19-23-37(24-20-33)41(35-15-11-9-12-16-35,36-17-13-10-14-18-36)38-25-21-34(22-26-38)32(4)30(2)28-40(7)8;4*1-2/h9-26H,27-28H2,1-8H3;4*1-2H3
InChIKeyGBQNNNFABUGEEQ-UHFFFAOYSA-N
XLogP9.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.17
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-[3-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)propyl]azanium iodide
CID 46225950
N,N,N',N'-tetrabenzylbutane-1,4-diamine
CID 336059
N,N,N',N'-tetrabenzylhexane-1,6-diamine
CID 15520742
Silanamine, N-methyl-N-(2-phenylethyl)-1,1,1-triphenyl-
CID 3067235
Silanamine, N-methyl-N-(phenylmethyl)-1,1,1-triphenyl-
CID 3067239
N,N'-bis[3-[bis(3-phenylpropyl)amino]propyl]-N,N'-bis(3-phenylpropyl)butane-1,4-diamine
CID 44318979
N,N,N',N'-tetrabenzyldecane-1,10-diamine
CID 145953237
N,N,N',N'-tetrabenzyloctane-1,8-diamine
CID 145956940
N,N-dimethyl-1-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)methanamine
CID 2801810
(1E,3E)-N,N-dimethyl-5-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)penta-1,3-dien-1-amine
CID 5713158
N,N-dimethyl-1-(2-methylphenyl)-1-triphenylsilylmethanamine
CID 12549245
(E)-N,N,N',N'-tetrabenzylbut-2-ene-1,4-diamine
CID 5929691

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine;ethane?
The IUPAC name of 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine;ethane (CID 91482457) is 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine;ethane.
What is the SMILES notation for 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine;ethane?
The canonical SMILES for 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine;ethane is CC.CC.CC.CC.CC(CN(C)C)=C(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)=C(C)CN(C)C)cc2)cc1.
What is the InChIKey of 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine;ethane?
The InChIKey is GBQNNNFABUGEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46N2Si.4C2H6/c1-29(27-39(5)6)31(3)33-19-23-37(24-20-33)41(35-15-11-9-12-16-35,36-17-13-10-14-18-36)38-25-21-34(22-26-38)32(4)30(2)28-40(7)8;4*1-2/h9-26H,27-28H2,1-8H3;4*1-2H3.
What are the key properties of 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine;ethane?
3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine;ethane has a molecular weight of 679.17 g/mol, XLogP of 9.88, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine;ethane is sourced from PubChem (CID 91482457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).