2-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline

C44H26N2 — CID 154589142

IUPAC2-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline
SMILESc1ccc2nc(-c3cccc4c5ccccc5c5ccccc5c34)c(-c3ccc4c5ccccc5c5ccccc5c4c3)nc2c1
InChIInChI=1S/C44H26N2/c1-2-14-30-28(12-1)29-13-4-6-18-34(29)39-26-27(24-25-35(30)39)43-44(46-41-23-10-9-22-40(41)45-43)38-21-11-20-37-33-16-5-3-15-31(33)32-17-7-8-19-36(32)42(37)38/h1-26H
InChIKeyRWGVXZSFSFPTNX-UHFFFAOYSA-N
MW582.71 g/mol
LogP11.88
Rot. Bonds2

About 2-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline

2-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline (PubChem CID 154589142) has the molecular formula C44H26N2 and a molecular weight of 582.71 g/mol. Its IUPAC name is 2-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline.

Molecular Properties

Compound Name2-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline
PubChem CID154589142
Molecular FormulaC44H26N2
Molecular Weight582.71 g/mol
Exact Mass582.21
IUPAC Name2-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline
SMILESc1ccc2nc(-c3cccc4c5ccccc5c5ccccc5c34)c(-c3ccc4c5ccccc5c5ccccc5c4c3)nc2c1
InChIInChI=1S/C44H26N2/c1-2-14-30-28(12-1)29-13-4-6-18-34(29)39-26-27(24-25-35(30)39)43-44(46-41-23-10-9-22-40(41)45-43)38-21-11-20-37-33-16-5-3-15-31(33)32-17-7-8-19-36(32)42(37)38/h1-26H
InChIKeyRWGVXZSFSFPTNX-UHFFFAOYSA-N
XLogP11.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.71
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,5-triphenyl-7-(3-triphenylen-2-ylphenyl)pyrazino[2,3-k]phenanthridine
CID 164767937
2-naphthalen-2-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline
CID 167087783
1-picen-2-ylpicene
CID 173311295
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
2-[5'-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-9,9'-spirobi[fluorene]-2'-yl]-3-(3-phenylphenyl)quinoxaline
CID 171051318
2-dibenzofuran-1-yl-3-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinoxaline;2-naphthalen-2-yl-6-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-3-phenylquinoxaline;6-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-2,3-diphenylquinoxaline;2-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-3-phenylquinoxaline
CID 167592457
14-phenyl-8-triphenylen-2-yl-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 163628646
23-phenyl-13-(3-phenylquinoxalin-2-yl)-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10(15),11,13,16(21),17,19-undecaene
CID 171044309
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-ylquinoline
CID 142621894
10,21-bis(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59622620
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-triphenylen-2-yl-[1]benzofuro[3,2-c]quinoline
CID 159208393
5-chrysen-3-yl-2,3-diphenylquinoxaline;3-chrysen-3-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-chrysen-3-yl-3-(3-phenylphenyl)phenanthro[9,10-b]pyrazine
CID 157359953

Frequently Asked Questions

What is the IUPAC name of 2-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline?
The IUPAC name of 2-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline (CID 154589142) is 2-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline.
What is the SMILES notation for 2-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline?
The canonical SMILES for 2-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline is c1ccc2nc(-c3cccc4c5ccccc5c5ccccc5c34)c(-c3ccc4c5ccccc5c5ccccc5c4c3)nc2c1.
What is the InChIKey of 2-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline?
The InChIKey is RWGVXZSFSFPTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2/c1-2-14-30-28(12-1)29-13-4-6-18-34(29)39-26-27(24-25-35(30)39)43-44(46-41-23-10-9-22-40(41)45-43)38-21-11-20-37-33-16-5-3-15-31(33)32-17-7-8-19-36(32)42(37)38/h1-26H.
What are the key properties of 2-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline?
2-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline has a molecular weight of 582.71 g/mol, XLogP of 11.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triphenylen-1-yl-3-triphenylen-2-ylquinoxaline is sourced from PubChem (CID 154589142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).