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

C36H20N2O — CID 155429525

IUPAC2-(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
SMILESc1ccc(-c2nc3ccccc3nc2-c2cc3c4c(c2)oc2cccc(c24)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C36H20N2O/c1-2-9-22(10-3-1)35-36(38-29-17-5-4-16-28(29)37-35)23-19-27-26-14-7-12-21-11-6-13-24(32(21)26)25-15-8-18-30-33(25)34(27)31(20-23)39-30/h1-20H
InChIKeyTVDWKTNARXCSJN-UHFFFAOYSA-N
MW496.57 g/mol
LogP9.66
Rot. Bonds2

About 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

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 (PubChem CID 155429525) has the molecular formula C36H20N2O and a molecular weight of 496.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID155429525
Molecular FormulaC36H20N2O
Molecular Weight496.57 g/mol
Exact Mass496.16
IUPAC Name2-(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
SMILESc1ccc(-c2nc3ccccc3nc2-c2cc3c4c(c2)oc2cccc(c24)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C36H20N2O/c1-2-9-22(10-3-1)35-36(38-29-17-5-4-16-28(29)37-35)23-19-27-26-14-7-12-21-11-6-13-24(32(21)26)25-15-8-18-30-33(25)34(27)31(20-23)39-30/h1-20H
InChIKeyTVDWKTNARXCSJN-UHFFFAOYSA-N
XLogP9.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 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

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-(1-benzofuran-2-yl)-3-phenylquinoxaline
CID 20787617
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
N-phenyl-N-(4-phenylphenyl)-3-[9-(3-phenylquinoxalin-2-yl)dibenzofuran-3-yl]aniline
CID 176817789
2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline
CID 3123808
2-(23-oxahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-20-yl)-4-phenylquinazoline
CID 139497751
2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 155404550
2-(9-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-3-phenylquinoxaline
CID 176818625
2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline
CID 168746371
2-[3-(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(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155429636
4-dibenzofuran-1-yl-2-phenylquinoline
CID 146337940

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc3ccccc3nc2-c2cc3c4c(c2)oc2cccc(c24)-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 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?
The InChIKey is TVDWKTNARXCSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N2O/c1-2-9-22(10-3-1)35-36(38-29-17-5-4-16-28(29)37-35)23-19-27-26-14-7-12-21-11-6-13-24(32(21)26)25-15-8-18-30-33(25)34(27)31(20-23)39-30/h1-20H.
What are the key properties of 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?
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 has a molecular weight of 496.57 g/mol, XLogP of 9.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155429525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).