N-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline

C25H21N3Si — CID 141263994

IUPACN-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline
SMILESC#CN(c1ccccc1)[Si](C)(N(C#C)c1ccccc1)N(C#C)c1ccccc1
InChIInChI=1S/C25H21N3Si/c1-5-26(23-17-11-8-12-18-23)29(4,27(6-2)24-19-13-9-14-20-24)28(7-3)25-21-15-10-16-22-25/h1-3,8-22H,4H3
InChIKeyQANCGDPIQFDNHT-UHFFFAOYSA-N
MW391.55 g/mol
LogP4.85
Rot. Bonds6

About N-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline

N-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline (PubChem CID 141263994) has the molecular formula C25H21N3Si and a molecular weight of 391.55 g/mol. Its IUPAC name is N-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline.

Molecular Properties

Compound NameN-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline
PubChem CID141263994
Molecular FormulaC25H21N3Si
Molecular Weight391.55 g/mol
Exact Mass391.15
IUPAC NameN-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline
SMILESC#CN(c1ccccc1)[Si](C)(N(C#C)c1ccccc1)N(C#C)c1ccccc1
InChIInChI=1S/C25H21N3Si/c1-5-26(23-17-11-8-12-18-23)29(4,27(6-2)24-19-13-9-14-20-24)28(7-3)25-21-15-10-16-22-25/h1-3,8-22H,4H3
InChIKeyQANCGDPIQFDNHT-UHFFFAOYSA-N
XLogP4.85
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.55
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetylene;N,N-diphenylaniline
CID 162160270
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
ethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane
CID 139653371
N,N-diphenylaniline;silane
CID 131739129
ethynyl-[4-(ethynyl-methyl-phenylsilyl)phenyl]-methyl-phenylsilane
CID 139653416
N,N-dimethylaniline
CID 70392672
N,N-diphenylaniline;ethene
CID 135186601
azane;N,N-diphenylaniline;methane
CID 174725062
1-methyl-1-phenyl-2,2-disilylhydrazine
CID 123916482
N,N-dimethylaniline;N,N-diphenylaniline
CID 159990775
(2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine
CID 139888641
benzene;iodoethyne
CID 175317836

Frequently Asked Questions

What is the IUPAC name of N-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline?
The IUPAC name of N-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline (CID 141263994) is N-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline.
What is the SMILES notation for N-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline?
The canonical SMILES for N-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline is C#CN(c1ccccc1)[Si](C)(N(C#C)c1ccccc1)N(C#C)c1ccccc1.
What is the InChIKey of N-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline?
The InChIKey is QANCGDPIQFDNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3Si/c1-5-26(23-17-11-8-12-18-23)29(4,27(6-2)24-19-13-9-14-20-24)28(7-3)25-21-15-10-16-22-25/h1-3,8-22H,4H3.
What are the key properties of N-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline?
N-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline has a molecular weight of 391.55 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(N-ethynylanilino)-methylsilyl]-N-ethynylaniline is sourced from PubChem (CID 141263994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).