23-methylidene-37-(2-methylphenyl)-3-phenyl-34-(trifluoromethyl)-3,5,12,14,30,32,37-heptazanonacyclo[19.17.0.02,14.04,13.06,11.015,20.024,29.030,38.031,36]octatriaconta-4,6,8,10,12,15,17,19,24,26,28,31(36),32,34-tetradecaene

C46H34F3N7 — CID 130329994

IUPAC23-methylidene-37-(2-methylphenyl)-3-phenyl-34-(trifluoromethyl)-3,5,12,14,30,32,37-heptazanonacyclo[19.17.0.02,14.04,13.06,11.015,20.024,29.030,38.031,36]octatriaconta-4,6,8,10,12,15,17,19,24,26,28,31(36),32,34-tetradecaene
SMILESC=C1CC2c3ccccc3N3c4nc5ccccc5nc4N(c4ccccc4)C3C2C2N(c3ccccc3C)c3cc(C(F)(F)F)cnc3N2c2ccccc21
InChIInChI=1S/C46H34F3N7/c1-27-14-6-11-21-36(27)54-39-25-29(46(47,48)49)26-50-41(39)55-37-22-12-7-17-31(37)28(2)24-33-32-18-8-13-23-38(32)56-43-42(51-34-19-9-10-20-35(34)52-43)53(30-15-4-3-5-16-30)44(56)40(33)45(54)55/h3-23,25-26,33,40,44-45H,2,24H2,1H3
InChIKeyXZSGNEWDDSRFBL-UHFFFAOYSA-N
MW741.82 g/mol
LogP11.41
Rot. Bonds2

About 23-methylidene-37-(2-methylphenyl)-3-phenyl-34-(trifluoromethyl)-3,5,12,14,30,32,37-heptazanonacyclo[19.17.0.02,14.04,13.06,11.015,20.024,29.030,38.031,36]octatriaconta-4,6,8,10,12,15,17,19,24,26,28,31(36),32,34-tetradecaene

23-methylidene-37-(2-methylphenyl)-3-phenyl-34-(trifluoromethyl)-3,5,12,14,30,32,37-heptazanonacyclo[19.17.0.02,14.04,13.06,11.015,20.024,29.030,38.031,36]octatriaconta-4,6,8,10,12,15,17,19,24,26,28,31(36),32,34-tetradecaene (PubChem CID 130329994) has the molecular formula C46H34F3N7 and a molecular weight of 741.82 g/mol. Its IUPAC name is 23-methylidene-37-(2-methylphenyl)-3-phenyl-34-(trifluoromethyl)-3,5,12,14,30,32,37-heptazanonacyclo[19.17.0.02,14.04,13.06,11.015,20.024,29.030,38.031,36]octatriaconta-4,6,8,10,12,15,17,19,24,26,28,31(36),32,34-tetradecaene.

Molecular Properties

Compound Name23-methylidene-37-(2-methylphenyl)-3-phenyl-34-(trifluoromethyl)-3,5,12,14,30,32,37-heptazanonacyclo[19.17.0.02,14.04,13.06,11.015,20.024,29.030,38.031,36]octatriaconta-4,6,8,10,12,15,17,19,24,26,28,31(36),32,34-tetradecaene
PubChem CID130329994
Molecular FormulaC46H34F3N7
Molecular Weight741.82 g/mol
Exact Mass741.28
IUPAC Name23-methylidene-37-(2-methylphenyl)-3-phenyl-34-(trifluoromethyl)-3,5,12,14,30,32,37-heptazanonacyclo[19.17.0.02,14.04,13.06,11.015,20.024,29.030,38.031,36]octatriaconta-4,6,8,10,12,15,17,19,24,26,28,31(36),32,34-tetradecaene
SMILESC=C1CC2c3ccccc3N3c4nc5ccccc5nc4N(c4ccccc4)C3C2C2N(c3ccccc3C)c3cc(C(F)(F)F)cnc3N2c2ccccc21
InChIInChI=1S/C46H34F3N7/c1-27-14-6-11-21-36(27)54-39-25-29(46(47,48)49)26-50-41(39)55-37-22-12-7-17-31(37)28(2)24-33-32-18-8-13-23-38(32)56-43-42(51-34-19-9-10-20-35(34)52-43)53(30-15-4-3-5-16-30)44(56)40(33)45(54)55/h3-23,25-26,33,40,44-45H,2,24H2,1H3
InChIKeyXZSGNEWDDSRFBL-UHFFFAOYSA-N
XLogP11.41
TPSA51.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.82
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 23-methylidene-37-(2-methylphenyl)-3-phenyl-34-(trifluoromethyl)-3,5,12,14,30,32,37-heptazanonacyclo[19.17.0.02,14.04,13.06,11.015,20.024,29.030,38.031,36]octatriaconta-4,6,8,10,12,15,17,19,24,26,28,31(36),32,34-tetradecaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 23-methylidene-37-(2-methylphenyl)-3-phenyl-34-(trifluoromethyl)-3,5,12,14,30,32,37-heptazanonacyclo[19.17.0.02,14.04,13.06,11.015,20.024,29.030,38.031,36]octatriaconta-4,6,8,10,12,15,17,19,24,26,28,31(36),32,34-tetradecaene?
The IUPAC name of 23-methylidene-37-(2-methylphenyl)-3-phenyl-34-(trifluoromethyl)-3,5,12,14,30,32,37-heptazanonacyclo[19.17.0.02,14.04,13.06,11.015,20.024,29.030,38.031,36]octatriaconta-4,6,8,10,12,15,17,19,24,26,28,31(36),32,34-tetradecaene (CID 130329994) is 23-methylidene-37-(2-methylphenyl)-3-phenyl-34-(trifluoromethyl)-3,5,12,14,30,32,37-heptazanonacyclo[19.17.0.02,14.04,13.06,11.015,20.024,29.030,38.031,36]octatriaconta-4,6,8,10,12,15,17,19,24,26,28,31(36),32,34-tetradecaene.
What is the SMILES notation for 23-methylidene-37-(2-methylphenyl)-3-phenyl-34-(trifluoromethyl)-3,5,12,14,30,32,37-heptazanonacyclo[19.17.0.02,14.04,13.06,11.015,20.024,29.030,38.031,36]octatriaconta-4,6,8,10,12,15,17,19,24,26,28,31(36),32,34-tetradecaene?
The canonical SMILES for 23-methylidene-37-(2-methylphenyl)-3-phenyl-34-(trifluoromethyl)-3,5,12,14,30,32,37-heptazanonacyclo[19.17.0.02,14.04,13.06,11.015,20.024,29.030,38.031,36]octatriaconta-4,6,8,10,12,15,17,19,24,26,28,31(36),32,34-tetradecaene is C=C1CC2c3ccccc3N3c4nc5ccccc5nc4N(c4ccccc4)C3C2C2N(c3ccccc3C)c3cc(C(F)(F)F)cnc3N2c2ccccc21.
What is the InChIKey of 23-methylidene-37-(2-methylphenyl)-3-phenyl-34-(trifluoromethyl)-3,5,12,14,30,32,37-heptazanonacyclo[19.17.0.02,14.04,13.06,11.015,20.024,29.030,38.031,36]octatriaconta-4,6,8,10,12,15,17,19,24,26,28,31(36),32,34-tetradecaene?
The InChIKey is XZSGNEWDDSRFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34F3N7/c1-27-14-6-11-21-36(27)54-39-25-29(46(47,48)49)26-50-41(39)55-37-22-12-7-17-31(37)28(2)24-33-32-18-8-13-23-38(32)56-43-42(51-34-19-9-10-20-35(34)52-43)53(30-15-4-3-5-16-30)44(56)40(33)45(54)55/h3-23,25-26,33,40,44-45H,2,24H2,1H3.
What are the key properties of 23-methylidene-37-(2-methylphenyl)-3-phenyl-34-(trifluoromethyl)-3,5,12,14,30,32,37-heptazanonacyclo[19.17.0.02,14.04,13.06,11.015,20.024,29.030,38.031,36]octatriaconta-4,6,8,10,12,15,17,19,24,26,28,31(36),32,34-tetradecaene?
23-methylidene-37-(2-methylphenyl)-3-phenyl-34-(trifluoromethyl)-3,5,12,14,30,32,37-heptazanonacyclo[19.17.0.02,14.04,13.06,11.015,20.024,29.030,38.031,36]octatriaconta-4,6,8,10,12,15,17,19,24,26,28,31(36),32,34-tetradecaene has a molecular weight of 741.82 g/mol, XLogP of 11.41, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 23-methylidene-37-(2-methylphenyl)-3-phenyl-34-(trifluoromethyl)-3,5,12,14,30,32,37-heptazanonacyclo[19.17.0.02,14.04,13.06,11.015,20.024,29.030,38.031,36]octatriaconta-4,6,8,10,12,15,17,19,24,26,28,31(36),32,34-tetradecaene is sourced from PubChem (CID 130329994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).