2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline

C38H30N4 — CID 58299261

IUPAC2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
SMILESCc1cc2nc(-c3ccccc3)c(-c3ccc(-c4nc5cc(C)c(C)cc5nc4-c4ccccc4)cc3)nc2cc1C
InChIInChI=1S/C38H30N4/c1-23-19-31-33(21-25(23)3)41-37(35(39-31)27-11-7-5-8-12-27)29-15-17-30(18-16-29)38-36(28-13-9-6-10-14-28)40-32-20-24(2)26(4)22-34(32)42-38/h5-22H,1-4H3
InChIKeySEKBSJWONMDXOC-UHFFFAOYSA-N
MW542.69 g/mol
LogP9.47
Rot. Bonds4

About 2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline

2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline (PubChem CID 58299261) has the molecular formula C38H30N4 and a molecular weight of 542.69 g/mol. Its IUPAC name is 2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline.

Molecular Properties

Compound Name2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
PubChem CID58299261
Molecular FormulaC38H30N4
Molecular Weight542.69 g/mol
Exact Mass542.25
IUPAC Name2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
SMILESCc1cc2nc(-c3ccccc3)c(-c3ccc(-c4nc5cc(C)c(C)cc5nc4-c4ccccc4)cc3)nc2cc1C
InChIInChI=1S/C38H30N4/c1-23-19-31-33(21-25(23)3)41-37(35(39-31)27-11-7-5-8-12-27)29-15-17-30(18-16-29)38-36(28-13-9-6-10-14-28)40-32-20-24(2)26(4)22-34(32)42-38/h5-22H,1-4H3
InChIKeySEKBSJWONMDXOC-UHFFFAOYSA-N
XLogP9.47
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.69
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline?
The IUPAC name of 2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline (CID 58299261) is 2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline.
What is the SMILES notation for 2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline?
The canonical SMILES for 2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline is Cc1cc2nc(-c3ccccc3)c(-c3ccc(-c4nc5cc(C)c(C)cc5nc4-c4ccccc4)cc3)nc2cc1C.
What is the InChIKey of 2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline?
The InChIKey is SEKBSJWONMDXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4/c1-23-19-31-33(21-25(23)3)41-37(35(39-31)27-11-7-5-8-12-27)29-15-17-30(18-16-29)38-36(28-13-9-6-10-14-28)40-32-20-24(2)26(4)22-34(32)42-38/h5-22H,1-4H3.
What are the key properties of 2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline?
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline has a molecular weight of 542.69 g/mol, XLogP of 9.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline is sourced from PubChem (CID 58299261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).