(15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene

C30H42FN3 — CID 154969838

IUPAC(15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene
SMILESC=C1/C=C(CC)/N=C(C)\C=C(/C)N(C)CCCCCc2cc(F)ccc2C(=C)N2CCCCC12
InChIInChI=1S/C30H42FN3/c1-7-28-19-22(2)30-14-10-12-18-34(30)25(5)29-16-15-27(31)21-26(29)13-9-8-11-17-33(6)24(4)20-23(3)32-28/h15-16,19-21,30H,2,5,7-14,17-18H2,1,3-4,6H3/b24-20+,28-19+,32-23-
InChIKeyJJNBWXINLOXOQL-RDDLBOKISA-N
MW463.69 g/mol
LogP7.52
Rot. Bonds1

About (15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene

(15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene (PubChem CID 154969838) has the molecular formula C30H42FN3 and a molecular weight of 463.69 g/mol. Its IUPAC name is (15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene.

Molecular Properties

Compound Name(15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene
PubChem CID154969838
Molecular FormulaC30H42FN3
Molecular Weight463.69 g/mol
Exact Mass463.34
IUPAC Name(15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene
SMILESC=C1/C=C(CC)/N=C(C)\C=C(/C)N(C)CCCCCc2cc(F)ccc2C(=C)N2CCCCC12
InChIInChI=1S/C30H42FN3/c1-7-28-19-22(2)30-14-10-12-18-34(30)25(5)29-16-15-27(31)21-26(29)13-9-8-11-17-33(6)24(4)20-23(3)32-28/h15-16,19-21,30H,2,5,7-14,17-18H2,1,3-4,6H3/b24-20+,28-19+,32-23-
InChIKeyJJNBWXINLOXOQL-RDDLBOKISA-N
XLogP7.52
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.69
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(16E,20E)-5-ethyl-N,15,16,18,20-pentamethyl-2,11-dimethylidene-1,12,15,19-tetrazatricyclo[21.4.0.03,8]heptacosa-3(8),4,6,16,18,20-hexaen-22-imine
CID 154969646
9-fluoro-6-methylidene-1,2,3,4,11,11a-hexahydrobenzo[b]quinolizine
CID 102002918
(1Z)-26-cyclobutyl-13-fluoro-23,28-dimethyl-3,10,19-trimethylidene-9,20,23,27,28-pentazatetracyclo[22.3.1.04,9.011,16]octacosa-1,11(16),12,14,24,26-hexaene
CID 154970045
2-(11-fluoro-8-methylidene-23-pyrrolidin-1-yl-7,20,24,26,27-pentazapentacyclo[23.2.1.02,7.09,14.021,26]octacosa-1(27),9(14),10,12,21,23,25(28)-heptaen-20-yl)ethanamine
CID 154969992
4-[2-(2-ethyl-5-fluorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 167006672
1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine
CID 57200436
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 129259469
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
1-[(9R,10S)-5-fluoro-1-azatricyclo[8.7.0.02,7]heptadeca-2(7),3,5-trien-9-yl]ethanone
CID 102529250
2-(2,5-difluorophenyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79916897
2-(2,5-difluorophenyl)-1-methylazetidine
CID 68991011
ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 145098323

Frequently Asked Questions

What is the IUPAC name of (15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene?
The IUPAC name of (15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene (CID 154969838) is (15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene.
What is the SMILES notation for (15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene?
The canonical SMILES for (15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene is C=C1/C=C(CC)/N=C(C)\C=C(/C)N(C)CCCCCc2cc(F)ccc2C(=C)N2CCCCC12.
What is the InChIKey of (15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene?
The InChIKey is JJNBWXINLOXOQL-RDDLBOKISA-N. The full InChI is InChI=1S/C30H42FN3/c1-7-28-19-22(2)30-14-10-12-18-34(30)25(5)29-16-15-27(31)21-26(29)13-9-8-11-17-33(6)24(4)20-23(3)32-28/h15-16,19-21,30H,2,5,7-14,17-18H2,1,3-4,6H3/b24-20+,28-19+,32-23-.
What are the key properties of (15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene?
(15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene has a molecular weight of 463.69 g/mol, XLogP of 7.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (15E,19E)-19-ethyl-6-fluoro-14,15,17-trimethyl-2,21-dimethylidene-1,14,18-triazatricyclo[20.4.0.03,8]hexacosa-3(8),4,6,15,17,19-hexaene is sourced from PubChem (CID 154969838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).