6-[4-[4-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)phenyl]phenyl]indolo[3,2-b]quinoxaline

C46H28N6 — CID 58544546

IUPAC6-[4-[4-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)phenyl]phenyl]indolo[3,2-b]quinoxaline
SMILESc1ccc2nc3c(nc2c1)c1ccccc1n3-c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5nc6ccccc6nc54)cc3)cc2)cc1
InChIInChI=1S/C46H28N6/c1-7-15-41-35(9-1)43-45(49-39-13-5-3-11-37(39)47-43)51(41)33-25-21-31(22-26-33)29-17-19-30(20-18-29)32-23-27-34(28-24-32)52-42-16-8-2-10-36(42)44-46(52)50-40-14-6-4-12-38(40)48-44/h1-28H
InChIKeyOQSRSECYYGZAFC-UHFFFAOYSA-N
MW664.77 g/mol
LogP11.10
Rot. Bonds4

About 6-[4-[4-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)phenyl]phenyl]indolo[3,2-b]quinoxaline

6-[4-[4-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)phenyl]phenyl]indolo[3,2-b]quinoxaline (PubChem CID 58544546) has the molecular formula C46H28N6 and a molecular weight of 664.77 g/mol. Its IUPAC name is 6-[4-[4-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)phenyl]phenyl]indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name6-[4-[4-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)phenyl]phenyl]indolo[3,2-b]quinoxaline
PubChem CID58544546
Molecular FormulaC46H28N6
Molecular Weight664.77 g/mol
Exact Mass664.24
IUPAC Name6-[4-[4-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)phenyl]phenyl]indolo[3,2-b]quinoxaline
SMILESc1ccc2nc3c(nc2c1)c1ccccc1n3-c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5nc6ccccc6nc54)cc3)cc2)cc1
InChIInChI=1S/C46H28N6/c1-7-15-41-35(9-1)43-45(49-39-13-5-3-11-37(39)47-43)51(41)33-25-21-31(22-26-33)29-17-19-30(20-18-29)32-23-27-34(28-24-32)52-42-16-8-2-10-36(42)44-46(52)50-40-14-6-4-12-38(40)48-44/h1-28H
InChIKeyOQSRSECYYGZAFC-UHFFFAOYSA-N
XLogP11.10
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.77
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)phenyl]phenyl]indolo[3,2-b]quinoxaline?
The IUPAC name of 6-[4-[4-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)phenyl]phenyl]indolo[3,2-b]quinoxaline (CID 58544546) is 6-[4-[4-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)phenyl]phenyl]indolo[3,2-b]quinoxaline.
What is the SMILES notation for 6-[4-[4-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)phenyl]phenyl]indolo[3,2-b]quinoxaline?
The canonical SMILES for 6-[4-[4-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)phenyl]phenyl]indolo[3,2-b]quinoxaline is c1ccc2nc3c(nc2c1)c1ccccc1n3-c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5nc6ccccc6nc54)cc3)cc2)cc1.
What is the InChIKey of 6-[4-[4-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)phenyl]phenyl]indolo[3,2-b]quinoxaline?
The InChIKey is OQSRSECYYGZAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N6/c1-7-15-41-35(9-1)43-45(49-39-13-5-3-11-37(39)47-43)51(41)33-25-21-31(22-26-33)29-17-19-30(20-18-29)32-23-27-34(28-24-32)52-42-16-8-2-10-36(42)44-46(52)50-40-14-6-4-12-38(40)48-44/h1-28H.
What are the key properties of 6-[4-[4-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)phenyl]phenyl]indolo[3,2-b]quinoxaline?
6-[4-[4-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)phenyl]phenyl]indolo[3,2-b]quinoxaline has a molecular weight of 664.77 g/mol, XLogP of 11.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(4-indolo[3,2-b]quinoxalin-6-ylphenyl)phenyl]phenyl]indolo[3,2-b]quinoxaline is sourced from PubChem (CID 58544546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).