14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene

C52H36N2 — CID 118885655

IUPAC14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene
SMILESCn1c2cc3c4ccc5cc(/C=C/c6ccc7ccccc7c6)ccc5c4n(C)c3cc2c2ccc3cc(/C=C/c4ccc5ccccc5c4)ccc3c21
InChIInChI=1S/C52H36N2/c1-53-49-31-48-46-26-22-42-30-36(14-12-34-16-20-38-8-4-6-10-40(38)28-34)18-24-44(42)52(46)54(2)50(48)32-47(49)45-25-21-41-29-35(17-23-43(41)51(45)53)13-11-33-15-19-37-7-3-5-9-39(37)27-33/h3-32H,1-2H3/b13-11+,14-12+
InChIKeyAITVYYRQALYYII-PHEQNACWSA-N
MW688.87 g/mol
LogP13.93
Rot. Bonds4

About 14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene

14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene (PubChem CID 118885655) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is 14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene.

Molecular Properties

Compound Name14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene
PubChem CID118885655
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC Name14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene
SMILESCn1c2cc3c4ccc5cc(/C=C/c6ccc7ccccc7c6)ccc5c4n(C)c3cc2c2ccc3cc(/C=C/c4ccc5ccccc5c4)ccc3c21
InChIInChI=1S/C52H36N2/c1-53-49-31-48-46-26-22-42-30-36(14-12-34-16-20-38-8-4-6-10-40(38)28-34)18-24-44(42)52(46)54(2)50(48)32-47(49)45-25-21-41-29-35(17-23-43(41)51(45)53)13-11-33-15-19-37-7-3-5-9-39(37)27-33/h3-32H,1-2H3/b13-11+,14-12+
InChIKeyAITVYYRQALYYII-PHEQNACWSA-N
XLogP13.93
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene 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 14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene?
The IUPAC name of 14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene (CID 118885655) is 14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene.
What is the SMILES notation for 14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene?
The canonical SMILES for 14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene is Cn1c2cc3c4ccc5cc(/C=C/c6ccc7ccccc7c6)ccc5c4n(C)c3cc2c2ccc3cc(/C=C/c4ccc5ccccc5c4)ccc3c21.
What is the InChIKey of 14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene?
The InChIKey is AITVYYRQALYYII-PHEQNACWSA-N. The full InChI is InChI=1S/C52H36N2/c1-53-49-31-48-46-26-22-42-30-36(14-12-34-16-20-38-8-4-6-10-40(38)28-34)18-24-44(42)52(46)54(2)50(48)32-47(49)45-25-21-41-29-35(17-23-43(41)51(45)53)13-11-33-15-19-37-7-3-5-9-39(37)27-33/h3-32H,1-2H3/b13-11+,14-12+.
What are the key properties of 14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene?
14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene has a molecular weight of 688.87 g/mol, XLogP of 13.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene is sourced from PubChem (CID 118885655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).