7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline

C50H44N4O4 — CID 71013588

IUPAC7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline
SMILESCOc1ccc(-c2nc3c(nc2C2=CCC(OC)C=C2)C=C(c2ccc(C4=Cc5nc(-c6ccc(OC)cc6)c(-c6ccc(OC)cc6)nc5CC4)cc2)CC3)cc1
InChIInChI=1S/C50H44N4O4/c1-55-39-19-9-33(10-20-39)47-49(35-13-23-41(57-3)24-14-35)53-45-29-37(17-27-43(45)51-47)31-5-7-32(8-6-31)38-18-28-44-46(30-38)54-50(36-15-25-42(58-4)26-16-36)48(52-44)34-11-21-40(56-2)22-12-34/h5-16,19-25,29-30,42H,17-18,26-28H2,1-4H3
InChIKeyPIMTWODSAFNTSB-UHFFFAOYSA-N
MW764.93 g/mol
LogP10.63
Rot. Bonds10

About 7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline

7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline (PubChem CID 71013588) has the molecular formula C50H44N4O4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline.

Molecular Properties

Compound Name7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline
PubChem CID71013588
Molecular FormulaC50H44N4O4
Molecular Weight764.93 g/mol
Exact Mass764.34
IUPAC Name7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline
SMILESCOc1ccc(-c2nc3c(nc2C2=CCC(OC)C=C2)C=C(c2ccc(C4=Cc5nc(-c6ccc(OC)cc6)c(-c6ccc(OC)cc6)nc5CC4)cc2)CC3)cc1
InChIInChI=1S/C50H44N4O4/c1-55-39-19-9-33(10-20-39)47-49(35-13-23-41(57-3)24-14-35)53-45-29-37(17-27-43(45)51-47)31-5-7-32(8-6-31)38-18-28-44-46(30-38)54-50(36-15-25-42(58-4)26-16-36)48(52-44)34-11-21-40(56-2)22-12-34/h5-16,19-25,29-30,42H,17-18,26-28H2,1-4H3
InChIKeyPIMTWODSAFNTSB-UHFFFAOYSA-N
XLogP10.63
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline?
The IUPAC name of 7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline (CID 71013588) is 7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline.
What is the SMILES notation for 7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline?
The canonical SMILES for 7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline is COc1ccc(-c2nc3c(nc2C2=CCC(OC)C=C2)C=C(c2ccc(C4=Cc5nc(-c6ccc(OC)cc6)c(-c6ccc(OC)cc6)nc5CC4)cc2)CC3)cc1.
What is the InChIKey of 7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline?
The InChIKey is PIMTWODSAFNTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N4O4/c1-55-39-19-9-33(10-20-39)47-49(35-13-23-41(57-3)24-14-35)53-45-29-37(17-27-43(45)51-47)31-5-7-32(8-6-31)38-18-28-44-46(30-38)54-50(36-15-25-42(58-4)26-16-36)48(52-44)34-11-21-40(56-2)22-12-34/h5-16,19-25,29-30,42H,17-18,26-28H2,1-4H3.
What are the key properties of 7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline?
7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline has a molecular weight of 764.93 g/mol, XLogP of 10.63, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline is sourced from PubChem (CID 71013588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).