2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline

C36H24N2O — CID 162733544

IUPAC2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline
SMILESC/C=C\C(=C/C)c1nc2ccccc2nc1-c1cccc2c1cc1oc3cccc4c5ccccc5c2c1c34
InChIInChI=1S/C36H24N2O/c1-3-11-21(4-2)35-36(38-29-18-8-7-17-28(29)37-35)26-16-9-14-25-27(26)20-31-34-32(25)23-13-6-5-12-22(23)24-15-10-19-30(39-31)33(24)34/h3-20H,1-2H3/b11-3-,21-4+
InChIKeyHOVQRBNJQCUDGF-DCRNPWPISA-N
MW500.60 g/mol
LogP10.07
Rot. Bonds3

About 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline

2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline (PubChem CID 162733544) has the molecular formula C36H24N2O and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline.

Molecular Properties

Compound Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline
PubChem CID162733544
Molecular FormulaC36H24N2O
Molecular Weight500.60 g/mol
Exact Mass500.19
IUPAC Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline
SMILESC/C=C\C(=C/C)c1nc2ccccc2nc1-c1cccc2c1cc1oc3cccc4c5ccccc5c2c1c34
InChIInChI=1S/C36H24N2O/c1-3-11-21(4-2)35-36(38-29-18-8-7-17-28(29)37-35)26-16-9-14-25-27(26)20-31-34-32(25)23-13-6-5-12-22(23)24-15-10-19-30(39-31)33(24)34/h3-20H,1-2H3/b11-3-,21-4+
InChIKeyHOVQRBNJQCUDGF-DCRNPWPISA-N
XLogP10.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline with MolForge

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Related Compounds

2-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 171043965
2-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-12-yl)-3-phenylquinoxaline
CID 171044112
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-[1]benzofuro[3,2-c]quinoline
CID 146498575
2-(23-oxahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1,3,5(22),6,8,10,12,14,16(21),17,19-undecaen-3-yl)-3-phenylquinoxaline
CID 171044322
2-[3-(8-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazine
CID 156706459
4-[3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzo[c]chromen-6-one
CID 155131059
2-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-4-yl)-3-phenylquinoxaline
CID 155429525
1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran
CID 142519053
9-(3-dibenzofuran-1-ylquinoxalin-2-yl)carbazole
CID 166849499
5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 139361976
3-[9-[3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 154647033
9,15-dimethyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59403826

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline?
The IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline (CID 162733544) is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline.
What is the SMILES notation for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline?
The canonical SMILES for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline is C/C=C\C(=C/C)c1nc2ccccc2nc1-c1cccc2c1cc1oc3cccc4c5ccccc5c2c1c34.
What is the InChIKey of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline?
The InChIKey is HOVQRBNJQCUDGF-DCRNPWPISA-N. The full InChI is InChI=1S/C36H24N2O/c1-3-11-21(4-2)35-36(38-29-18-8-7-17-28(29)37-35)26-16-9-14-25-27(26)20-31-34-32(25)23-13-6-5-12-22(23)24-15-10-19-30(39-31)33(24)34/h3-20H,1-2H3/b11-3-,21-4+.
What are the key properties of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline?
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline has a molecular weight of 500.60 g/mol, XLogP of 10.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline is sourced from PubChem (CID 162733544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).