14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene

C25H21N — CID 145097128

IUPAC14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene
SMILESCc1ccc(N2c3ccccc3C3=C(CCC=C3)c3ccccc32)cc1
InChIInChI=1S/C25H21N/c1-18-14-16-19(17-15-18)26-24-12-6-4-10-22(24)20-8-2-3-9-21(20)23-11-5-7-13-25(23)26/h2,4-8,10-17H,3,9H2,1H3
InChIKeyDGLYCUVVOHRZTO-UHFFFAOYSA-N
MW335.45 g/mol
LogP7.04
Rot. Bonds1

About 14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene

14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene (PubChem CID 145097128) has the molecular formula C25H21N and a molecular weight of 335.45 g/mol. Its IUPAC name is 14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene.

Molecular Properties

Compound Name14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene
PubChem CID145097128
Molecular FormulaC25H21N
Molecular Weight335.45 g/mol
Exact Mass335.17
IUPAC Name14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene
SMILESCc1ccc(N2c3ccccc3C3=C(CCC=C3)c3ccccc32)cc1
InChIInChI=1S/C25H21N/c1-18-14-16-19(17-15-18)26-24-12-6-4-10-22(24)20-8-2-3-9-21(20)23-11-5-7-13-25(23)26/h2,4-8,10-17H,3,9H2,1H3
InChIKeyDGLYCUVVOHRZTO-UHFFFAOYSA-N
XLogP7.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 159673552
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14-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,15,17,19-octaene
CID 130450823
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CID 170288323
14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 59838794

Frequently Asked Questions

What is the IUPAC name of 14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene?
The IUPAC name of 14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene (CID 145097128) is 14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene.
What is the SMILES notation for 14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene?
The canonical SMILES for 14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene is Cc1ccc(N2c3ccccc3C3=C(CCC=C3)c3ccccc32)cc1.
What is the InChIKey of 14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene?
The InChIKey is DGLYCUVVOHRZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N/c1-18-14-16-19(17-15-18)26-24-12-6-4-10-22(24)20-8-2-3-9-21(20)23-11-5-7-13-25(23)26/h2,4-8,10-17H,3,9H2,1H3.
What are the key properties of 14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene?
14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene has a molecular weight of 335.45 g/mol, XLogP of 7.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene is sourced from PubChem (CID 145097128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).