N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine

C58H44N6S2 — CID 138489029

About N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine

N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine (PubChem CID 138489029) has the molecular formula C58H44N6S2 and a molecular weight of 889.17 g/mol. Its IUPAC name is N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine.

Molecular Properties

• Compound Name: N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine
• PubChem CID: 138489029
• Molecular Formula: C58H44N6S2
• Molecular Weight: 889.17 g/mol
• Exact Mass: 888.31
• IUPAC Name: N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine
• SMILES: Cc1nc2c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)s4)cc3)c3nc(C)c(C)nc3c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)s4)cc3)c2nc1C
• InChI: InChI=1S/C58H44N6S2/c1-37-38(2)60-56-54(44-31-27-42(28-32-44)50-34-36-52(66-50)64(47-21-13-7-14-22-47)48-23-15-8-16-24-48)58-57(61-39(3)40(4)62-58)53(55(56)59-37)43-29-25-41(26-30-43)49-33-35-51(65-49)63(45-17-9-5-10-18-45)46-19-11-6-12-20-46/h5-36H,1-4H3
• InChIKey: HOMGUTYZCUDELN-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 58.04 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.17
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine?

The IUPAC name of N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine (CID 138489029) is N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine.

What is the SMILES notation for N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine?

The canonical SMILES for N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine is Cc1nc2c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)s4)cc3)c3nc(C)c(C)nc3c(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)s4)cc3)c2nc1C.

What is the InChIKey of N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine?

The InChIKey is HOMGUTYZCUDELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N6S2/c1-37-38(2)60-56-54(44-31-27-42(28-32-44)50-34-36-52(66-50)64(47-21-13-7-14-22-47)48-23-15-8-16-24-48)58-57(61-39(3)40(4)62-58)53(55(56)59-37)43-29-25-41(26-30-43)49-33-35-51(65-49)63(45-17-9-5-10-18-45)46-19-11-6-12-20-46/h5-36H,1-4H3.

What are the key properties of N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine?

N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine has a molecular weight of 889.17 g/mol, XLogP of 16.54, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-5-[4-[2,3,7,8-tetramethyl-5-[4-[5-(N-phenylanilino)thiophen-2-yl]phenyl]pyrazino[2,3-g]quinoxalin-10-yl]phenyl]thiophen-2-amine is sourced from PubChem (CID 138489029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).