N-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline

C38H72N2Si6 — CID 177423131

IUPACN-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline
SMILESC/C(=C\C(C)=N\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)Nc1ccccc1
InChIInChI=1S/C38H72N2Si6/c1-29(39-32-24-22-21-23-25-32)26-30(2)40-35-33(37(43(9,10)11)44(12,13)14)27-31(36(41(3,4)5)42(6,7)8)28-34(35)38(45(15,16)17)46(18,19)20/h21-28,36-39H,1-20H3/b29-26+,40-30+
InChIKeyOAFHSIHCGJTLBR-IKGDUFPUSA-N
MW725.52 g/mol
LogP13.31
Rot. Bonds13

About N-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline

N-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline (PubChem CID 177423131) has the molecular formula C38H72N2Si6 and a molecular weight of 725.52 g/mol. Its IUPAC name is N-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline.

Molecular Properties

Compound NameN-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline
PubChem CID177423131
Molecular FormulaC38H72N2Si6
Molecular Weight725.52 g/mol
Exact Mass724.43
IUPAC NameN-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline
SMILESC/C(=C\C(C)=N\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)Nc1ccccc1
InChIInChI=1S/C38H72N2Si6/c1-29(39-32-24-22-21-23-25-32)26-30(2)40-35-33(37(43(9,10)11)44(12,13)14)27-31(36(41(3,4)5)42(6,7)8)28-34(35)38(45(15,16)17)46(18,19)20/h21-28,36-39H,1-20H3/b29-26+,40-30+
InChIKeyOAFHSIHCGJTLBR-IKGDUFPUSA-N
XLogP13.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.52
LogP ≤ 513.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline
CID 144792170
1-N,4-N-bis[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]benzene-1,4-diamine
CID 162408249
N-[(Z)-4-methyliminopent-2-en-2-yl]aniline
CID 23579015
1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine
CID 139160848
3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine
CID 175260191
(E)-3-anilinobut-2-enoic acid
CID 89350388
2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline
CID 101126797
N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline
CID 143656340
N'-[bis(trimethylsilyl)methyl]-N-phenylethanimidamide
CID 10357022
dimethylgallane;N,N'-diphenylethanimidamide
CID 173308791
2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile
CID 139109827
2-propan-2-yl-N-[(Z)-4-(2-propan-2-yl-6-propylphenyl)iminopent-2-en-2-yl]-6-propylaniline
CID 101126796

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline?
The IUPAC name of N-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline (CID 177423131) is N-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline.
What is the SMILES notation for N-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline?
The canonical SMILES for N-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline is C/C(=C\C(C)=N\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)Nc1ccccc1.
What is the InChIKey of N-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline?
The InChIKey is OAFHSIHCGJTLBR-IKGDUFPUSA-N. The full InChI is InChI=1S/C38H72N2Si6/c1-29(39-32-24-22-21-23-25-32)26-30(2)40-35-33(37(43(9,10)11)44(12,13)14)27-31(36(41(3,4)5)42(6,7)8)28-34(35)38(45(15,16)17)46(18,19)20/h21-28,36-39H,1-20H3/b29-26+,40-30+.
What are the key properties of N-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline?
N-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline has a molecular weight of 725.52 g/mol, XLogP of 13.31, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline is sourced from PubChem (CID 177423131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).