ethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene

C23H24N4 — CID 144782442

IUPACethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene
SMILESC=C.Cc1ccc2c(c1)N1c3nccnc3N(c3ccccc3)C1C2(C)C
InChIInChI=1S/C21H20N4.C2H4/c1-14-9-10-16-17(13-14)25-19-18(22-11-12-23-19)24(20(25)21(16,2)3)15-7-5-4-6-8-15;1-2/h4-13,20H,1-3H3;1-2H2
InChIKeyCIXJGWVWXPZNEZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.49
Rot. Bonds1

About ethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene

ethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene (PubChem CID 144782442) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is ethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene.

Molecular Properties

Compound Nameethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene
PubChem CID144782442
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Nameethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene
SMILESC=C.Cc1ccc2c(c1)N1c3nccnc3N(c3ccccc3)C1C2(C)C
InChIInChI=1S/C21H20N4.C2H4/c1-14-9-10-16-17(13-14)25-19-18(22-11-12-23-19)24(20(25)21(16,2)3)15-7-5-4-6-8-15;1-2/h4-13,20H,1-3H3;1-2H2
InChIKeyCIXJGWVWXPZNEZ-UHFFFAOYSA-N
XLogP5.49
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene with MolForge

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Related Compounds

10,10-dimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11,13,15-hexaene
CID 144782319
10,10-dimethyl-8-(2-methylphenyl)-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11,13,15-hexaene;ethane
CID 145283629
(10R)-8-fluoro-8,9,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 144724858
8,9,9-trimethyl-11-phenyl-8-prop-2-enyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 138605300
14-bromo-13-ethyl-8-(4-ethylphenyl)-10,10-dimethyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene;ethene
CID 144782448
8,9-diethyl-8-methyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 123285328
8-ethenyl-8,9,9-trimethyl-4-phenyl-5-propan-2-yl-11-(4-propan-2-ylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,12,14,16-hexaene
CID 129190543
(2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 155603202
11-(3,5-dimethyl-4-phenylphenyl)-8,9-diethyl-8,9-dimethyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 123389102
8-ethenyl-9,9-dimethyl-13-(3-methylphenyl)-11-phenyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 139372951
2,4-dimethyl-18-phenyl-11,13,18-triazapentacyclo[9.7.0.02,4.05,10.012,17]octadeca-5,7,9,12(17),13,15-hexaene
CID 144714038
35-(3,5-dimethyl-4-phenylphenyl)-1,21-dimethyl-19-methylidene-4-phenyl-4,6,9,11,28,30,33,35-octazanonacyclo[19.15.0.02,18.03,11.05,10.012,17.022,27.028,36.029,34]hexatriaconta-5,7,9,12,14,16,22,24,26,29,31,33-dodecaene
CID 149327123

Frequently Asked Questions

What is the IUPAC name of ethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene?
The IUPAC name of ethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene (CID 144782442) is ethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene.
What is the SMILES notation for ethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene?
The canonical SMILES for ethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene is C=C.Cc1ccc2c(c1)N1c3nccnc3N(c3ccccc3)C1C2(C)C.
What is the InChIKey of ethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene?
The InChIKey is CIXJGWVWXPZNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4.C2H4/c1-14-9-10-16-17(13-14)25-19-18(22-11-12-23-19)24(20(25)21(16,2)3)15-7-5-4-6-8-15;1-2/h4-13,20H,1-3H3;1-2H2.
What are the key properties of ethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene?
ethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene has a molecular weight of 356.47 g/mol, XLogP of 5.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene is sourced from PubChem (CID 144782442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).