1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline

C30H30N2 — CID 139250047

IUPAC1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline
SMILESCCN1c2ccc(-c3ccccc3)cc2N(CC)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C30H30N2/c1-3-31-27-21-20-26(23-14-8-5-9-15-23)22-28(27)32(4-2)30(25-18-12-7-13-19-25)29(31)24-16-10-6-11-17-24/h5-22,29-30H,3-4H2,1-2H3
InChIKeyMZWMSURNHRCYJL-UHFFFAOYSA-N
MW418.58 g/mol
LogP7.50
Rot. Bonds5

About 1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline

1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline (PubChem CID 139250047) has the molecular formula C30H30N2 and a molecular weight of 418.58 g/mol. Its IUPAC name is 1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline
PubChem CID139250047
Molecular FormulaC30H30N2
Molecular Weight418.58 g/mol
Exact Mass418.24
IUPAC Name1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline
SMILESCCN1c2ccc(-c3ccccc3)cc2N(CC)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C30H30N2/c1-3-31-27-21-20-26(23-14-8-5-9-15-23)22-28(27)32(4-2)30(25-18-12-7-13-19-25)29(31)24-16-10-6-11-17-24/h5-22,29-30H,3-4H2,1-2H3
InChIKeyMZWMSURNHRCYJL-UHFFFAOYSA-N
XLogP7.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,10-dimethyl-2-phenylphenazine
CID 22055373
4-ethyl-2,3-diphenyl-2,3-dihydro-1,4-benzothiazine
CID 134916127
3-ethyl-5-phenyl-2H-1,3-benzoxazole
CID 20650453
(4Z)-4-(1,4-diethyl-2,3,7-triphenyl-2,3-dihydroquinoxalin-1-ium-6-ylidene)-2-(1,4-diethyl-2,3,7-triphenyl-2,3-dihydroquinoxalin-6-yl)-3-oxocyclobuten-1-olate
CID 139250050
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
8,8,14,14-tetramethyl-5,17-diphenyl-11-[4-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330364
5,5-diethyl-7-(2-methyl-4-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline
CID 166829359
2-chloro-1,3-diethyl-2H-benzimidazole
CID 69082202
2-ethyl-4-phenylbenzaldehyde
CID 87968483
9-ethyl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 167189399
10-iodo-9,9-dimethyl-3-phenylacridine
CID 146540526
2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile
CID 88985039

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline?
The IUPAC name of 1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline (CID 139250047) is 1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline is CCN1c2ccc(-c3ccccc3)cc2N(CC)C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline?
The InChIKey is MZWMSURNHRCYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2/c1-3-31-27-21-20-26(23-14-8-5-9-15-23)22-28(27)32(4-2)30(25-18-12-7-13-19-25)29(31)24-16-10-6-11-17-24/h5-22,29-30H,3-4H2,1-2H3.
What are the key properties of 1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline?
1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline has a molecular weight of 418.58 g/mol, XLogP of 7.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 139250047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).