6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzothiophen-4-yl]pyrazino[2,3-f]quinoxaline

C69H37N7O2S — CID 134411606

IUPAC6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzothiophen-4-yl]pyrazino[2,3-f]quinoxaline
SMILESc1ccc2c(c1)oc1c(-c3cc(-c4cc5ncc(-c6cccc7c6sc6ccc(-c8ccc(-c9ccnc%10c9ccc9nccnc9%10)cc8)cc67)nc5c5nccnc45)cc(-c4cccc5c4oc4ccccc45)c3)cccc12
InChIInChI=1S/C69H37N7O2S/c1-3-16-59-47(8-1)50-12-5-10-45(67(50)77-59)41-32-42(46-11-6-13-51-48-9-2-4-17-60(48)78-68(46)51)34-43(33-41)54-36-57-65(66-63(54)72-30-31-74-66)76-58(37-75-57)53-15-7-14-52-55-35-40(22-25-61(55)79-69(52)53)38-18-20-39(21-19-38)44-26-27-71-62-49(44)23-24-56-64(62)73-29-28-70-56/h1-37H
InChIKeyNQIFXAHZHLZREM-UHFFFAOYSA-N
MW1028.17 g/mol
LogP18.23
Rot. Bonds6

About 6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzothiophen-4-yl]pyrazino[2,3-f]quinoxaline

6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzothiophen-4-yl]pyrazino[2,3-f]quinoxaline (PubChem CID 134411606) has the molecular formula C69H37N7O2S and a molecular weight of 1028.17 g/mol. Its IUPAC name is 6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzothiophen-4-yl]pyrazino[2,3-f]quinoxaline.

Molecular Properties

Compound Name6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzothiophen-4-yl]pyrazino[2,3-f]quinoxaline
PubChem CID134411606
Molecular FormulaC69H37N7O2S
Molecular Weight1028.17 g/mol
Exact Mass1027.27
IUPAC Name6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzothiophen-4-yl]pyrazino[2,3-f]quinoxaline
SMILESc1ccc2c(c1)oc1c(-c3cc(-c4cc5ncc(-c6cccc7c6sc6ccc(-c8ccc(-c9ccnc%10c9ccc9nccnc9%10)cc8)cc67)nc5c5nccnc45)cc(-c4cccc5c4oc4ccccc45)c3)cccc12
InChIInChI=1S/C69H37N7O2S/c1-3-16-59-47(8-1)50-12-5-10-45(67(50)77-59)41-32-42(46-11-6-13-51-48-9-2-4-17-60(48)78-68(46)51)34-43(33-41)54-36-57-65(66-63(54)72-30-31-74-66)76-58(37-75-57)53-15-7-14-52-55-35-40(22-25-61(55)79-69(52)53)38-18-20-39(21-19-38)44-26-27-71-62-49(44)23-24-56-64(62)73-29-28-70-56/h1-37H
InChIKeyNQIFXAHZHLZREM-UHFFFAOYSA-N
XLogP18.23
TPSA116.51 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001028.17
LogP ≤ 518.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzothiophen-4-yl]pyrazino[2,3-f]quinoxaline?
The IUPAC name of 6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzothiophen-4-yl]pyrazino[2,3-f]quinoxaline (CID 134411606) is 6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzothiophen-4-yl]pyrazino[2,3-f]quinoxaline.
What is the SMILES notation for 6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzothiophen-4-yl]pyrazino[2,3-f]quinoxaline?
The canonical SMILES for 6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzothiophen-4-yl]pyrazino[2,3-f]quinoxaline is c1ccc2c(c1)oc1c(-c3cc(-c4cc5ncc(-c6cccc7c6sc6ccc(-c8ccc(-c9ccnc%10c9ccc9nccnc9%10)cc8)cc67)nc5c5nccnc45)cc(-c4cccc5c4oc4ccccc45)c3)cccc12.
What is the InChIKey of 6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzothiophen-4-yl]pyrazino[2,3-f]quinoxaline?
The InChIKey is NQIFXAHZHLZREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H37N7O2S/c1-3-16-59-47(8-1)50-12-5-10-45(67(50)77-59)41-32-42(46-11-6-13-51-48-9-2-4-17-60(48)78-68(46)51)34-43(33-41)54-36-57-65(66-63(54)72-30-31-74-66)76-58(37-75-57)53-15-7-14-52-55-35-40(22-25-61(55)79-69(52)53)38-18-20-39(21-19-38)44-26-27-71-62-49(44)23-24-56-64(62)73-29-28-70-56/h1-37H.
What are the key properties of 6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzothiophen-4-yl]pyrazino[2,3-f]quinoxaline?
6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzothiophen-4-yl]pyrazino[2,3-f]quinoxaline has a molecular weight of 1028.17 g/mol, XLogP of 18.23, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-[8-(4-pyrido[2,3-f]quinoxalin-7-ylphenyl)dibenzothiophen-4-yl]pyrazino[2,3-f]quinoxaline is sourced from PubChem (CID 134411606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).