6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine

C58H46N6 — CID 58988982

IUPAC6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
SMILESCc1c(C)c(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nccnc2c1N(c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C58H46N6/c1-43-44(2)58(64(50-31-19-8-20-32-50)54-39-35-52(36-40-54)62(47-25-13-5-14-26-47)48-27-15-6-16-28-48)56-55(59-41-42-60-56)57(43)63(49-29-17-7-18-30-49)53-37-33-51(34-38-53)61(45-21-9-3-10-22-45)46-23-11-4-12-24-46/h3-42H,1-2H3
InChIKeyCVUPUAHEBRJPRD-UHFFFAOYSA-N
MW827.05 g/mol
LogP16.13
Rot. Bonds12

About 6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine

6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine (PubChem CID 58988982) has the molecular formula C58H46N6 and a molecular weight of 827.05 g/mol. Its IUPAC name is 6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine.

Molecular Properties

Compound Name6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
PubChem CID58988982
Molecular FormulaC58H46N6
Molecular Weight827.05 g/mol
Exact Mass826.38
IUPAC Name6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
SMILESCc1c(C)c(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nccnc2c1N(c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C58H46N6/c1-43-44(2)58(64(50-31-19-8-20-32-50)54-39-35-52(36-40-54)62(47-25-13-5-14-26-47)48-27-15-6-16-28-48)56-55(59-41-42-60-56)57(43)63(49-29-17-7-18-30-49)53-37-33-51(34-38-53)61(45-21-9-3-10-22-45)46-23-11-4-12-24-46/h3-42H,1-2H3
InChIKeyCVUPUAHEBRJPRD-UHFFFAOYSA-N
XLogP16.13
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.05
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine?
The IUPAC name of 6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine (CID 58988982) is 6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine.
What is the SMILES notation for 6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine?
The canonical SMILES for 6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine is Cc1c(C)c(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2nccnc2c1N(c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine?
The InChIKey is CVUPUAHEBRJPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N6/c1-43-44(2)58(64(50-31-19-8-20-32-50)54-39-35-52(36-40-54)62(47-25-13-5-14-26-47)48-27-15-6-16-28-48)56-55(59-41-42-60-56)57(43)63(49-29-17-7-18-30-49)53-37-33-51(34-38-53)61(45-21-9-3-10-22-45)46-23-11-4-12-24-46/h3-42H,1-2H3.
What are the key properties of 6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine?
6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine has a molecular weight of 827.05 g/mol, XLogP of 16.13, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine is sourced from PubChem (CID 58988982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).