25-ethenyl-3-methylidene-7-phenyl-6-propan-2-yl-26-aza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10,12,14,19,21,23,25-decaene

C36H35N2+ — CID 170103530

IUPAC25-ethenyl-3-methylidene-7-phenyl-6-propan-2-yl-26-aza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10,12,14,19,21,23,25-decaene
SMILESC=CC1=NC2CC(=C)[n+]3cc(C(C)C)c(-c4ccccc4)cc3-c3ccccc3CCC2c2ccccc21
InChIInChI=1S/C36H35N2/c1-5-34-30-18-12-11-17-29(30)31-20-19-27-15-9-10-16-28(27)36-22-32(26-13-7-6-8-14-26)33(24(2)3)23-38(36)25(4)21-35(31)37-34/h5-18,22-24,31,35H,1,4,19-21H2,2-3H3/q+1
InChIKeySVSIOPPFJUHBJD-UHFFFAOYSA-N
MW495.69 g/mol
LogP8.38
Rot. Bonds3

About 25-ethenyl-3-methylidene-7-phenyl-6-propan-2-yl-26-aza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10,12,14,19,21,23,25-decaene

25-ethenyl-3-methylidene-7-phenyl-6-propan-2-yl-26-aza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10,12,14,19,21,23,25-decaene (PubChem CID 170103530) has the molecular formula C36H35N2+ and a molecular weight of 495.69 g/mol. Its IUPAC name is 25-ethenyl-3-methylidene-7-phenyl-6-propan-2-yl-26-aza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10,12,14,19,21,23,25-decaene.

Molecular Properties

Compound Name25-ethenyl-3-methylidene-7-phenyl-6-propan-2-yl-26-aza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10,12,14,19,21,23,25-decaene
PubChem CID170103530
Molecular FormulaC36H35N2+
Molecular Weight495.69 g/mol
Exact Mass495.28
IUPAC Name25-ethenyl-3-methylidene-7-phenyl-6-propan-2-yl-26-aza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10,12,14,19,21,23,25-decaene
SMILESC=CC1=NC2CC(=C)[n+]3cc(C(C)C)c(-c4ccccc4)cc3-c3ccccc3CCC2c2ccccc21
InChIInChI=1S/C36H35N2/c1-5-34-30-18-12-11-17-29(30)31-20-19-27-15-9-10-16-28(27)36-22-32(26-13-7-6-8-14-26)33(24(2)3)23-38(36)25(4)21-35(31)37-34/h5-18,22-24,31,35H,1,4,19-21H2,2-3H3/q+1
InChIKeySVSIOPPFJUHBJD-UHFFFAOYSA-N
XLogP8.38
TPSA16.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.69
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 25-ethenyl-3-methylidene-7-phenyl-6-propan-2-yl-26-aza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10,12,14,19,21,23,25-decaene 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 25-ethenyl-3-methylidene-7-phenyl-6-propan-2-yl-26-aza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10,12,14,19,21,23,25-decaene?
The IUPAC name of 25-ethenyl-3-methylidene-7-phenyl-6-propan-2-yl-26-aza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10,12,14,19,21,23,25-decaene (CID 170103530) is 25-ethenyl-3-methylidene-7-phenyl-6-propan-2-yl-26-aza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10,12,14,19,21,23,25-decaene.
What is the SMILES notation for 25-ethenyl-3-methylidene-7-phenyl-6-propan-2-yl-26-aza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10,12,14,19,21,23,25-decaene?
The canonical SMILES for 25-ethenyl-3-methylidene-7-phenyl-6-propan-2-yl-26-aza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10,12,14,19,21,23,25-decaene is C=CC1=NC2CC(=C)[n+]3cc(C(C)C)c(-c4ccccc4)cc3-c3ccccc3CCC2c2ccccc21.
What is the InChIKey of 25-ethenyl-3-methylidene-7-phenyl-6-propan-2-yl-26-aza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10,12,14,19,21,23,25-decaene?
The InChIKey is SVSIOPPFJUHBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N2/c1-5-34-30-18-12-11-17-29(30)31-20-19-27-15-9-10-16-28(27)36-22-32(26-13-7-6-8-14-26)33(24(2)3)23-38(36)25(4)21-35(31)37-34/h5-18,22-24,31,35H,1,4,19-21H2,2-3H3/q+1.
What are the key properties of 25-ethenyl-3-methylidene-7-phenyl-6-propan-2-yl-26-aza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10,12,14,19,21,23,25-decaene?
25-ethenyl-3-methylidene-7-phenyl-6-propan-2-yl-26-aza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10,12,14,19,21,23,25-decaene has a molecular weight of 495.69 g/mol, XLogP of 8.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 25-ethenyl-3-methylidene-7-phenyl-6-propan-2-yl-26-aza-4-azoniapentacyclo[16.8.0.04,9.010,15.019,24]hexacosa-4(9),5,7,10,12,14,19,21,23,25-decaene is sourced from PubChem (CID 170103530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).