5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine

C56H42N6 — CID 58988979

IUPAC5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4nccnc34)cc2)cc1
InChIInChI=1S/C56H42N6/c1-7-19-43(20-8-1)59(44-21-9-2-10-22-44)49-31-35-51(36-32-49)61(47-27-15-5-16-28-47)53-39-40-54(56-55(53)57-41-42-58-56)62(48-29-17-6-18-30-48)52-37-33-50(34-38-52)60(45-23-11-3-12-24-45)46-25-13-4-14-26-46/h1-42H
InChIKeyOXDSJXZDWCXHDZ-UHFFFAOYSA-N
MW798.99 g/mol
LogP15.51
Rot. Bonds12

About 5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine

5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine (PubChem CID 58988979) has the molecular formula C56H42N6 and a molecular weight of 798.99 g/mol. Its IUPAC name is 5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine.

Molecular Properties

Compound Name5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
PubChem CID58988979
Molecular FormulaC56H42N6
Molecular Weight798.99 g/mol
Exact Mass798.35
IUPAC Name5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4nccnc34)cc2)cc1
InChIInChI=1S/C56H42N6/c1-7-19-43(20-8-1)59(44-21-9-2-10-22-44)49-31-35-51(36-32-49)61(47-27-15-5-16-28-47)53-39-40-54(56-55(53)57-41-42-58-56)62(48-29-17-6-18-30-48)52-37-33-50(34-38-52)60(45-23-11-3-12-24-45)46-25-13-4-14-26-46/h1-42H
InChIKeyOXDSJXZDWCXHDZ-UHFFFAOYSA-N
XLogP15.51
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.99
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine?
The IUPAC name of 5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine (CID 58988979) is 5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine.
What is the SMILES notation for 5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine?
The canonical SMILES for 5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine is c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4nccnc34)cc2)cc1.
What is the InChIKey of 5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine?
The InChIKey is OXDSJXZDWCXHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N6/c1-7-19-43(20-8-1)59(44-21-9-2-10-22-44)49-31-35-51(36-32-49)61(47-27-15-5-16-28-47)53-39-40-54(56-55(53)57-41-42-58-56)62(48-29-17-6-18-30-48)52-37-33-50(34-38-52)60(45-23-11-3-12-24-45)46-25-13-4-14-26-46/h1-42H.
What are the key properties of 5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine?
5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine has a molecular weight of 798.99 g/mol, XLogP of 15.51, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine is sourced from PubChem (CID 58988979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).