CID 172523914

C38H68N3O2Si2Y+2 — CID 172523914

IUPAC—
SMILESCN(CCN(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O.C[Si](C)[N-][Si](C)C.[Y+3]
InChIInChI=1S/C34H56N2O2.C4H12NSi2.Y/c1-31(2,3)25-17-23(29(37)27(19-25)33(7,8)9)21-35(13)15-16-36(14)22-24-18-26(32(4,5)6)20-28(30(24)38)34(10,11)12;1-6(2)5-7(3)4;/h17-20,37-38H,15-16,21-22H2,1-14H3;1-4H3;/q;-1;+3
InChIKeyFTTOBQKXLQFQDK-UHFFFAOYSA-N
MW744.06 g/mol
LogP9.71
Rot. Bonds9

About CID 172523914

CID 172523914 (PubChem CID 172523914) has the molecular formula C38H68N3O2Si2Y+2 and a molecular weight of 744.06 g/mol.

Molecular Properties

Compound NameCID 172523914
PubChem CID172523914
Molecular FormulaC38H68N3O2Si2Y+2
Molecular Weight744.06 g/mol
Exact Mass743.39
IUPAC Name—
SMILESCN(CCN(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O.C[Si](C)[N-][Si](C)C.[Y+3]
InChIInChI=1S/C34H56N2O2.C4H12NSi2.Y/c1-31(2,3)25-17-23(29(37)27(19-25)33(7,8)9)21-35(13)15-16-36(14)22-24-18-26(32(4,5)6)20-28(30(24)38)34(10,11)12;1-6(2)5-7(3)4;/h17-20,37-38H,15-16,21-22H2,1-14H3;1-4H3;/q;-1;+3
InChIKeyFTTOBQKXLQFQDK-UHFFFAOYSA-N
XLogP9.71
TPSA61.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.06
LogP ≤ 59.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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2-[[bis[3-(dimethylamino)propyl]amino]methyl]-4,6-ditert-butylphenol
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zinc 2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate
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disodium;2-[carboxylatomethyl-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]amino]acetate
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2-[[bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]amino]methyl]-4,6-ditert-butylphenol;propan-2-ol;zirconium
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1-N,3-N-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]propanedihydrazide
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2,4-ditert-butyl-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]ethyl-methylamino]methyl]phenol
CID 137124059
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-oxidophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenolate;bis(propan-2-olate);titanium(4+)
CID 139133900
2-(aminomethyl)-4,6-ditert-butylphenol
CID 12652148
[3-tert-butyl-4-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]-phenylmethanone
CID 14751310
trisodium;2,4-ditert-butyl-6-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenol;phosphate
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Frequently Asked Questions

What is the IUPAC name of CID 172523914?
The IUPAC name of CID 172523914 (CID 172523914) is not available.
What is the SMILES notation for CID 172523914?
The canonical SMILES for CID 172523914 is CN(CCN(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O.C[Si](C)[N-][Si](C)C.[Y+3].
What is the InChIKey of CID 172523914?
The InChIKey is FTTOBQKXLQFQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56N2O2.C4H12NSi2.Y/c1-31(2,3)25-17-23(29(37)27(19-25)33(7,8)9)21-35(13)15-16-36(14)22-24-18-26(32(4,5)6)20-28(30(24)38)34(10,11)12;1-6(2)5-7(3)4;/h17-20,37-38H,15-16,21-22H2,1-14H3;1-4H3;/q;-1;+3.
What are the key properties of CID 172523914?
CID 172523914 has a molecular weight of 744.06 g/mol, XLogP of 9.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172523914 is sourced from PubChem (CID 172523914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).