N-(3-methoxycyclohexa-1,5-dien-1-yl)-N-(5-methoxycyclohexa-1,3-dien-1-yl)-4-silylaniline

C20H25NO2Si — CID 123977382

IUPACN-(3-methoxycyclohexa-1,5-dien-1-yl)-N-(5-methoxycyclohexa-1,3-dien-1-yl)-4-silylaniline
SMILESCOC1C=C(N(C2=CC=CC(OC)C2)c2ccc([SiH3])cc2)C=CC1
InChIInChI=1S/C20H25NO2Si/c1-22-18-7-3-5-16(13-18)21(15-9-11-20(24)12-10-15)17-6-4-8-19(14-17)23-2/h3-7,9-12,14,18-19H,8,13H2,1-2,24H3
InChIKeyMXPPGNSKFQTUJG-UHFFFAOYSA-N
MW339.51 g/mol
LogP2.20
Rot. Bonds5

About N-(3-methoxycyclohexa-1,5-dien-1-yl)-N-(5-methoxycyclohexa-1,3-dien-1-yl)-4-silylaniline

N-(3-methoxycyclohexa-1,5-dien-1-yl)-N-(5-methoxycyclohexa-1,3-dien-1-yl)-4-silylaniline (PubChem CID 123977382) has the molecular formula C20H25NO2Si and a molecular weight of 339.51 g/mol. Its IUPAC name is N-(3-methoxycyclohexa-1,5-dien-1-yl)-N-(5-methoxycyclohexa-1,3-dien-1-yl)-4-silylaniline.

Molecular Properties

Compound NameN-(3-methoxycyclohexa-1,5-dien-1-yl)-N-(5-methoxycyclohexa-1,3-dien-1-yl)-4-silylaniline
PubChem CID123977382
Molecular FormulaC20H25NO2Si
Molecular Weight339.51 g/mol
Exact Mass339.17
IUPAC NameN-(3-methoxycyclohexa-1,5-dien-1-yl)-N-(5-methoxycyclohexa-1,3-dien-1-yl)-4-silylaniline
SMILESCOC1C=C(N(C2=CC=CC(OC)C2)c2ccc([SiH3])cc2)C=CC1
InChIInChI=1S/C20H25NO2Si/c1-22-18-7-3-5-16(13-18)21(15-9-11-20(24)12-10-15)17-6-4-8-19(14-17)23-2/h3-7,9-12,14,18-19H,8,13H2,1-2,24H3
InChIKeyMXPPGNSKFQTUJG-UHFFFAOYSA-N
XLogP2.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline
CID 90760439
6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride
CID 144964238
1-ethoxy-5-methoxycyclohexa-1,3-diene
CID 173070219
7-methoxycycloocta-1,3,5-triene
CID 71368516
(5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 131977860
6-methoxy-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 146989399
N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 146294835
N-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 155483685
4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline
CID 70920041
N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine
CID 155371747
1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 166657814
carbon monoxide;iron;(5-methoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene
CID 11811206

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexa-1,5-dien-1-yl)-N-(5-methoxycyclohexa-1,3-dien-1-yl)-4-silylaniline?
The IUPAC name of N-(3-methoxycyclohexa-1,5-dien-1-yl)-N-(5-methoxycyclohexa-1,3-dien-1-yl)-4-silylaniline (CID 123977382) is N-(3-methoxycyclohexa-1,5-dien-1-yl)-N-(5-methoxycyclohexa-1,3-dien-1-yl)-4-silylaniline.
What is the SMILES notation for N-(3-methoxycyclohexa-1,5-dien-1-yl)-N-(5-methoxycyclohexa-1,3-dien-1-yl)-4-silylaniline?
The canonical SMILES for N-(3-methoxycyclohexa-1,5-dien-1-yl)-N-(5-methoxycyclohexa-1,3-dien-1-yl)-4-silylaniline is COC1C=C(N(C2=CC=CC(OC)C2)c2ccc([SiH3])cc2)C=CC1.
What is the InChIKey of N-(3-methoxycyclohexa-1,5-dien-1-yl)-N-(5-methoxycyclohexa-1,3-dien-1-yl)-4-silylaniline?
The InChIKey is MXPPGNSKFQTUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2Si/c1-22-18-7-3-5-16(13-18)21(15-9-11-20(24)12-10-15)17-6-4-8-19(14-17)23-2/h3-7,9-12,14,18-19H,8,13H2,1-2,24H3.
What are the key properties of N-(3-methoxycyclohexa-1,5-dien-1-yl)-N-(5-methoxycyclohexa-1,3-dien-1-yl)-4-silylaniline?
N-(3-methoxycyclohexa-1,5-dien-1-yl)-N-(5-methoxycyclohexa-1,3-dien-1-yl)-4-silylaniline has a molecular weight of 339.51 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexa-1,5-dien-1-yl)-N-(5-methoxycyclohexa-1,3-dien-1-yl)-4-silylaniline is sourced from PubChem (CID 123977382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).