(1E,2Z,10Z,13E,17Z,19Z)-10-ethenyl-11-[(Z)-2-phenylethenyl]-22-oxa-12-azatricyclo[13.7.0.04,9]docosa-1(15),2,4,6,8,10,13,17,19-nonaene

C30H27NO — CID 144597163

IUPAC(1E,2Z,10Z,13E,17Z,19Z)-10-ethenyl-11-[(Z)-2-phenylethenyl]-22-oxa-12-azatricyclo[13.7.0.04,9]docosa-1(15),2,4,6,8,10,13,17,19-nonaene
SMILESC=C/C1=C(\C=C/c2ccccc2)N/C=C\C2=C(/C=C\c3ccccc31)OC/C=C\C=C/C2
InChIInChI=1S/C30H27NO/c1-2-27-28-16-10-9-14-25(28)18-20-30-26(15-8-3-4-11-23-32-30)21-22-31-29(27)19-17-24-12-6-5-7-13-24/h2-14,16-22,31H,1,15,23H2/b8-3-,11-4-,19-17-,20-18-,22-21-,29-27-,30-26+
InChIKeyLSXXMYFROUJPHT-YKZDXCTBSA-N
MW417.55 g/mol
LogP7.21
Rot. Bonds3

About (1E,2Z,10Z,13E,17Z,19Z)-10-ethenyl-11-[(Z)-2-phenylethenyl]-22-oxa-12-azatricyclo[13.7.0.04,9]docosa-1(15),2,4,6,8,10,13,17,19-nonaene

(1E,2Z,10Z,13E,17Z,19Z)-10-ethenyl-11-[(Z)-2-phenylethenyl]-22-oxa-12-azatricyclo[13.7.0.04,9]docosa-1(15),2,4,6,8,10,13,17,19-nonaene (PubChem CID 144597163) has the molecular formula C30H27NO and a molecular weight of 417.55 g/mol. Its IUPAC name is (1E,2Z,10Z,13E,17Z,19Z)-10-ethenyl-11-[(Z)-2-phenylethenyl]-22-oxa-12-azatricyclo[13.7.0.04,9]docosa-1(15),2,4,6,8,10,13,17,19-nonaene.

Molecular Properties

Compound Name(1E,2Z,10Z,13E,17Z,19Z)-10-ethenyl-11-[(Z)-2-phenylethenyl]-22-oxa-12-azatricyclo[13.7.0.04,9]docosa-1(15),2,4,6,8,10,13,17,19-nonaene
PubChem CID144597163
Molecular FormulaC30H27NO
Molecular Weight417.55 g/mol
Exact Mass417.21
IUPAC Name(1E,2Z,10Z,13E,17Z,19Z)-10-ethenyl-11-[(Z)-2-phenylethenyl]-22-oxa-12-azatricyclo[13.7.0.04,9]docosa-1(15),2,4,6,8,10,13,17,19-nonaene
SMILESC=C/C1=C(\C=C/c2ccccc2)N/C=C\C2=C(/C=C\c3ccccc31)OC/C=C\C=C/C2
InChIInChI=1S/C30H27NO/c1-2-27-28-16-10-9-14-25(28)18-20-30-26(15-8-3-4-11-23-32-30)21-22-31-29(27)19-17-24-12-6-5-7-13-24/h2-14,16-22,31H,1,15,23H2/b8-3-,11-4-,19-17-,20-18-,22-21-,29-27-,30-26+
InChIKeyLSXXMYFROUJPHT-YKZDXCTBSA-N
XLogP7.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1E,2Z,10Z,13E,17Z,19Z)-10-ethenyl-11-[(Z)-2-phenylethenyl]-22-oxa-12-azatricyclo[13.7.0.04,9]docosa-1(15),2,4,6,8,10,13,17,19-nonaene 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

(6E,8E,10E)-N-[(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]-5,5,6-trimethylbenzo[9]annulen-8-amine
CID 144423468
1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine
CID 174778237
2-benzylidene-5-methoxy-1H-pyridine
CID 174907336
(1E,3Z)-5-ethoxy-1-phenyl-N-prop-2-enylpenta-1,3-dien-3-amine
CID 101184702
(1E,3Z)-N-[(E)-but-2-en-2-yl]-4-methoxy-3-phenylhexa-1,3,5-trien-1-amine
CID 143912430

Frequently Asked Questions

What is the IUPAC name of (1E,2Z,10Z,13E,17Z,19Z)-10-ethenyl-11-[(Z)-2-phenylethenyl]-22-oxa-12-azatricyclo[13.7.0.04,9]docosa-1(15),2,4,6,8,10,13,17,19-nonaene?
The IUPAC name of (1E,2Z,10Z,13E,17Z,19Z)-10-ethenyl-11-[(Z)-2-phenylethenyl]-22-oxa-12-azatricyclo[13.7.0.04,9]docosa-1(15),2,4,6,8,10,13,17,19-nonaene (CID 144597163) is (1E,2Z,10Z,13E,17Z,19Z)-10-ethenyl-11-[(Z)-2-phenylethenyl]-22-oxa-12-azatricyclo[13.7.0.04,9]docosa-1(15),2,4,6,8,10,13,17,19-nonaene.
What is the SMILES notation for (1E,2Z,10Z,13E,17Z,19Z)-10-ethenyl-11-[(Z)-2-phenylethenyl]-22-oxa-12-azatricyclo[13.7.0.04,9]docosa-1(15),2,4,6,8,10,13,17,19-nonaene?
The canonical SMILES for (1E,2Z,10Z,13E,17Z,19Z)-10-ethenyl-11-[(Z)-2-phenylethenyl]-22-oxa-12-azatricyclo[13.7.0.04,9]docosa-1(15),2,4,6,8,10,13,17,19-nonaene is C=C/C1=C(\C=C/c2ccccc2)N/C=C\C2=C(/C=C\c3ccccc31)OC/C=C\C=C/C2.
What is the InChIKey of (1E,2Z,10Z,13E,17Z,19Z)-10-ethenyl-11-[(Z)-2-phenylethenyl]-22-oxa-12-azatricyclo[13.7.0.04,9]docosa-1(15),2,4,6,8,10,13,17,19-nonaene?
The InChIKey is LSXXMYFROUJPHT-YKZDXCTBSA-N. The full InChI is InChI=1S/C30H27NO/c1-2-27-28-16-10-9-14-25(28)18-20-30-26(15-8-3-4-11-23-32-30)21-22-31-29(27)19-17-24-12-6-5-7-13-24/h2-14,16-22,31H,1,15,23H2/b8-3-,11-4-,19-17-,20-18-,22-21-,29-27-,30-26+.
What are the key properties of (1E,2Z,10Z,13E,17Z,19Z)-10-ethenyl-11-[(Z)-2-phenylethenyl]-22-oxa-12-azatricyclo[13.7.0.04,9]docosa-1(15),2,4,6,8,10,13,17,19-nonaene?
(1E,2Z,10Z,13E,17Z,19Z)-10-ethenyl-11-[(Z)-2-phenylethenyl]-22-oxa-12-azatricyclo[13.7.0.04,9]docosa-1(15),2,4,6,8,10,13,17,19-nonaene has a molecular weight of 417.55 g/mol, XLogP of 7.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2Z,10Z,13E,17Z,19Z)-10-ethenyl-11-[(Z)-2-phenylethenyl]-22-oxa-12-azatricyclo[13.7.0.04,9]docosa-1(15),2,4,6,8,10,13,17,19-nonaene is sourced from PubChem (CID 144597163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).