7-[4-[2,3-bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline

C46H34F4N4 — CID 89187954

IUPAC7-[4-[2,3-bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline
SMILESFc1ccc(-c2nc3c(nc2C2=CCC(F)C=C2)C=C(C2=CC=C(C4=Cc5nc(-c6ccc(F)cc6)c(-c6ccc(F)cc6)nc5CC4)CC2)CC3)cc1
InChIInChI=1S/C46H34F4N4/c47-35-15-5-29(6-16-35)43-45(31-9-19-37(49)20-10-31)53-41-25-33(13-23-39(41)51-43)27-1-2-28(4-3-27)34-14-24-40-42(26-34)54-46(32-11-21-38(50)22-12-32)44(52-40)30-7-17-36(48)18-8-30/h1-2,5-12,15-21,25-26,38H,3-4,13-14,22-24H2
InChIKeyJSQHKBKXXAIPSL-UHFFFAOYSA-N
MW718.80 g/mol
LogP11.37
Rot. Bonds6

About 7-[4-[2,3-bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline

7-[4-[2,3-bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline (PubChem CID 89187954) has the molecular formula C46H34F4N4 and a molecular weight of 718.80 g/mol. Its IUPAC name is 7-[4-[2,3-bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline.

Molecular Properties

Compound Name7-[4-[2,3-bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline
PubChem CID89187954
Molecular FormulaC46H34F4N4
Molecular Weight718.80 g/mol
Exact Mass718.27
IUPAC Name7-[4-[2,3-bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline
SMILESFc1ccc(-c2nc3c(nc2C2=CCC(F)C=C2)C=C(C2=CC=C(C4=Cc5nc(-c6ccc(F)cc6)c(-c6ccc(F)cc6)nc5CC4)CC2)CC3)cc1
InChIInChI=1S/C46H34F4N4/c47-35-15-5-29(6-16-35)43-45(31-9-19-37(49)20-10-31)53-41-25-33(13-23-39(41)51-43)27-1-2-28(4-3-27)34-14-24-40-42(26-34)54-46(32-11-21-38(50)22-12-32)44(52-40)30-7-17-36(48)18-8-30/h1-2,5-12,15-21,25-26,38H,3-4,13-14,22-24H2
InChIKeyJSQHKBKXXAIPSL-UHFFFAOYSA-N
XLogP11.37
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.80
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[4-[2,3-bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2,3-bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline?
The IUPAC name of 7-[4-[2,3-bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline (CID 89187954) is 7-[4-[2,3-bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline.
What is the SMILES notation for 7-[4-[2,3-bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline?
The canonical SMILES for 7-[4-[2,3-bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline is Fc1ccc(-c2nc3c(nc2C2=CCC(F)C=C2)C=C(C2=CC=C(C4=Cc5nc(-c6ccc(F)cc6)c(-c6ccc(F)cc6)nc5CC4)CC2)CC3)cc1.
What is the InChIKey of 7-[4-[2,3-bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline?
The InChIKey is JSQHKBKXXAIPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34F4N4/c47-35-15-5-29(6-16-35)43-45(31-9-19-37(49)20-10-31)53-41-25-33(13-23-39(41)51-43)27-1-2-28(4-3-27)34-14-24-40-42(26-34)54-46(32-11-21-38(50)22-12-32)44(52-40)30-7-17-36(48)18-8-30/h1-2,5-12,15-21,25-26,38H,3-4,13-14,22-24H2.
What are the key properties of 7-[4-[2,3-bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline?
7-[4-[2,3-bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline has a molecular weight of 718.80 g/mol, XLogP of 11.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2,3-bis(4-fluorophenyl)-7,8-dihydroquinoxalin-6-yl]cyclohexa-1,3-dien-1-yl]-2-(4-fluorocyclohexa-1,5-dien-1-yl)-3-(4-fluorophenyl)-5,6-dihydroquinoxaline is sourced from PubChem (CID 89187954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).