14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene

C26H30N4 — CID 144714092

IUPAC14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
SMILESCCc1nc2c(nc1CC)N1c3ccccc3C(C)(C)C(C)C1N2c1ccccc1
InChIInChI=1S/C26H30N4/c1-6-20-21(7-2)28-24-23(27-20)29(18-13-9-8-10-14-18)25-17(3)26(4,5)19-15-11-12-16-22(19)30(24)25/h8-17,25H,6-7H2,1-5H3
InChIKeyPMMIHUOVWRBVKO-UHFFFAOYSA-N
MW398.55 g/mol
LogP6.14
Rot. Bonds3

About 14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene

14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene (PubChem CID 144714092) has the molecular formula C26H30N4 and a molecular weight of 398.55 g/mol. Its IUPAC name is 14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene.

Molecular Properties

Compound Name14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
PubChem CID144714092
Molecular FormulaC26H30N4
Molecular Weight398.55 g/mol
Exact Mass398.25
IUPAC Name14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
SMILESCCc1nc2c(nc1CC)N1c3ccccc3C(C)(C)C(C)C1N2c1ccccc1
InChIInChI=1S/C26H30N4/c1-6-20-21(7-2)28-24-23(27-20)29(18-13-9-8-10-14-18)25-17(3)26(4,5)19-15-11-12-16-22(19)30(24)25/h8-17,25H,6-7H2,1-5H3
InChIKeyPMMIHUOVWRBVKO-UHFFFAOYSA-N
XLogP6.14
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene with MolForge

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Related Compounds

8,8,15,16-tetraethyl-12-phenyl-1,12,14,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,9,13,15,17-heptaene
CID 129200560
14,15-bis(2,2-dimethylpropyl)-8-ethenyl-8,9-dimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 138507432
1,2-bis(ethenyl)-5-ethyl-4,5-dimethyl-3-phenyl-3a,4-dihydroimidazo[1,2-a]quinoline
CID 144782344
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
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
8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 163954347
8,9-diethyl-8,9-dimethyl-14,15-bis(2-methylphenyl)-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 123630412
3,4,5,5-tetramethyl-3a,4-dihydroimidazo[1,2-a]quinoline
CID 144782356
14-ethyl-16-methyl-12-phenyl-1,12-diazahexacyclo[11.9.0.02,11.04,9.014,16.017,22]docosa-2,4,6,8,10,17,19,21-octaene
CID 143249363
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-ethenyl-8,9-diethyl-9-methyl-11-phenyl-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene
CID 123689717

Frequently Asked Questions

What is the IUPAC name of 14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene?
The IUPAC name of 14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene (CID 144714092) is 14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene.
What is the SMILES notation for 14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene?
The canonical SMILES for 14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene is CCc1nc2c(nc1CC)N1c3ccccc3C(C)(C)C(C)C1N2c1ccccc1.
What is the InChIKey of 14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene?
The InChIKey is PMMIHUOVWRBVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4/c1-6-20-21(7-2)28-24-23(27-20)29(18-13-9-8-10-14-18)25-17(3)26(4,5)19-15-11-12-16-22(19)30(24)25/h8-17,25H,6-7H2,1-5H3.
What are the key properties of 14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene?
14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene has a molecular weight of 398.55 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene is sourced from PubChem (CID 144714092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).