4-[2-(16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-15-yl)ethenyl]-N,N-dimethylaniline

C26H28N2O — CID 68566298

IUPAC4-[2-(16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-15-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=CC23OCCN2c2ccc4ccccc4c2C3(C)C)cc1
InChIInChI=1S/C26H28N2O/c1-25(2)24-22-8-6-5-7-20(22)11-14-23(24)28-17-18-29-26(25,28)16-15-19-9-12-21(13-10-19)27(3)4/h5-16H,17-18H2,1-4H3
InChIKeyCYUJSBSKPPSYNX-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.44
Rot. Bonds3

About 4-[2-(16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-15-yl)ethenyl]-N,N-dimethylaniline

4-[2-(16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-15-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 68566298) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-[2-(16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-15-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-15-yl)ethenyl]-N,N-dimethylaniline
PubChem CID68566298
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name4-[2-(16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-15-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=CC23OCCN2c2ccc4ccccc4c2C3(C)C)cc1
InChIInChI=1S/C26H28N2O/c1-25(2)24-22-8-6-5-7-20(22)11-14-23(24)28-17-18-29-26(25,28)16-15-19-9-12-21(13-10-19)27(3)4/h5-16H,17-18H2,1-4H3
InChIKeyCYUJSBSKPPSYNX-UHFFFAOYSA-N
XLogP5.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 4-[2-(16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-15-yl)ethenyl]-N,N-dimethylaniline with MolForge

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Related Compounds

15-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-13-one
CID 68570092
4-[(E)-2-(4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline
CID 54569448
4-[(E)-2-(10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline
CID 14245910
4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline
CID 68568181
4-[(E)-2-(8-chloro-10,10-dimethyl-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10a-yl)ethenyl]-N,N-dimethylaniline
CID 89211075
4-[(E)-2-(4,4-dimethyl-6-methylsulfonyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline
CID 68568894
2-[3a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-6-yl]ethene-1,1,2-tricarbonitrile
CID 101403706
N,N-dimethyl-4-[4-(4,4,6-trimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)buta-1,3-dienyl]aniline;sulfur dioxide
CID 159465927
[3-[3a-[2-[4-(dimethylamino)phenyl]ethenyl]-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-6-yl]propyl-(hydroxymethyl)-methoxysilyl]methanol
CID 58107206
N-[2-(2-aminoethyldisulfanyl)ethyl]-3a-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole-6-sulfonamide
CID 143745971
N,N-dimethyl-4-[2-(3,3,6-trimethyl-5λ3-ioda-6-azatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),4,8,10,12-hexaen-4-yl)ethenyl]aniline
CID 142050148
4,4-dimethyl-3a-[(E)-2-(9-methylcarbazol-3-yl)ethenyl]-1,2-dihydro-[1,3]oxazolo[3,2-a]indole
CID 68566437

Frequently Asked Questions

What is the IUPAC name of 4-[2-(16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-15-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-15-yl)ethenyl]-N,N-dimethylaniline (CID 68566298) is 4-[2-(16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-15-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-15-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-15-yl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(C=CC23OCCN2c2ccc4ccccc4c2C3(C)C)cc1.
What is the InChIKey of 4-[2-(16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-15-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is CYUJSBSKPPSYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-25(2)24-22-8-6-5-7-20(22)11-14-23(24)28-17-18-29-26(25,28)16-15-19-9-12-21(13-10-19)27(3)4/h5-16H,17-18H2,1-4H3.
What are the key properties of 4-[2-(16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-15-yl)ethenyl]-N,N-dimethylaniline?
4-[2-(16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-15-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 384.52 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(16,16-dimethyl-14-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-15-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 68566298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).