3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline

C34H20Cl2N4 — CID 21026465

IUPAC3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline
SMILESClc1ccc(-c2nc3cc4nc(-c5ccc(Cl)cc5)c(-c5ccccc5)nc4cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C34H20Cl2N4/c35-25-15-11-23(12-16-25)33-31(21-7-3-1-4-8-21)37-27-19-28-30(20-29(27)39-33)40-34(24-13-17-26(36)18-14-24)32(38-28)22-9-5-2-6-10-22/h1-20H
InChIKeyQDTABRPENOCJLV-UHFFFAOYSA-N
MW555.47 g/mol
LogP9.55
Rot. Bonds4

About 3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline

3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline (PubChem CID 21026465) has the molecular formula C34H20Cl2N4 and a molecular weight of 555.47 g/mol. Its IUPAC name is 3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline.

Molecular Properties

Compound Name3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline
PubChem CID21026465
Molecular FormulaC34H20Cl2N4
Molecular Weight555.47 g/mol
Exact Mass554.11
IUPAC Name3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline
SMILESClc1ccc(-c2nc3cc4nc(-c5ccc(Cl)cc5)c(-c5ccccc5)nc4cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C34H20Cl2N4/c35-25-15-11-23(12-16-25)33-31(21-7-3-1-4-8-21)37-27-19-28-30(20-29(27)39-33)40-34(24-13-17-26(36)18-14-24)32(38-28)22-9-5-2-6-10-22/h1-20H
InChIKeyQDTABRPENOCJLV-UHFFFAOYSA-N
XLogP9.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.47
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-(4-chlorophenyl)-2-phenylquinoxaline
CID 132520838
4-(7-chloro-3-phenylquinoxalin-2-yl)phenol
CID 136805911
2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine
CID 155576945
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine
CID 134997336
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
[4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine
CID 58524219
(6-chloro-3-phenylquinoxalin-2-yl)hydrazine
CID 141464003
2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 18504282
2,4-bis(4-chlorophenyl)-6-phenylpyridine
CID 3640020
5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine
CID 87574008

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline?
The IUPAC name of 3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline (CID 21026465) is 3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline.
What is the SMILES notation for 3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline?
The canonical SMILES for 3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline is Clc1ccc(-c2nc3cc4nc(-c5ccc(Cl)cc5)c(-c5ccccc5)nc4cc3nc2-c2ccccc2)cc1.
What is the InChIKey of 3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline?
The InChIKey is QDTABRPENOCJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20Cl2N4/c35-25-15-11-23(12-16-25)33-31(21-7-3-1-4-8-21)37-27-19-28-30(20-29(27)39-33)40-34(24-13-17-26(36)18-14-24)32(38-28)22-9-5-2-6-10-22/h1-20H.
What are the key properties of 3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline?
3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline has a molecular weight of 555.47 g/mol, XLogP of 9.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline is sourced from PubChem (CID 21026465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).