5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine

C60H36Br2N10S4 — CID 159244598

IUPAC5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine
SMILESBrc1ccc(-c2c3nccnc3c(-c3ccc(Br)s3)c3nccnc23)s1.c1ccc(N(c2ccccc2)c2ccc(-c3c4nccnc4c(-c4ccc(N(c5ccccc5)c5ccccc5)s4)c4nccnc34)s2)cc1
InChIInChI=1S/C42H28N6S2.C18H8Br2N4S2/c1-5-13-29(14-6-1)47(30-15-7-2-8-16-30)35-23-21-33(49-35)37-39-41(45-27-25-43-39)38(42-40(37)44-26-28-46-42)34-22-24-36(50-34)48(31-17-9-3-10-18-31)32-19-11-4-12-20-32;19-11-3-1-9(25-11)13-15-17(23-7-5-21-15)14(10-2-4-12(20)26-10)18-16(13)22-6-8-24-18/h1-28H;1-8H
InChIKeyKUNHEHQONYRGEA-UHFFFAOYSA-N
MW1185.09 g/mol
LogP18.52
Rot. Bonds10

About 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine

5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine (PubChem CID 159244598) has the molecular formula C60H36Br2N10S4 and a molecular weight of 1185.09 g/mol. Its IUPAC name is 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine.

Molecular Properties

Compound Name5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine
PubChem CID159244598
Molecular FormulaC60H36Br2N10S4
Molecular Weight1185.09 g/mol
Exact Mass1182.04
IUPAC Name5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine
SMILESBrc1ccc(-c2c3nccnc3c(-c3ccc(Br)s3)c3nccnc23)s1.c1ccc(N(c2ccccc2)c2ccc(-c3c4nccnc4c(-c4ccc(N(c5ccccc5)c5ccccc5)s4)c4nccnc34)s2)cc1
InChIInChI=1S/C42H28N6S2.C18H8Br2N4S2/c1-5-13-29(14-6-1)47(30-15-7-2-8-16-30)35-23-21-33(49-35)37-39-41(45-27-25-43-39)38(42-40(37)44-26-28-46-42)34-22-24-36(50-34)48(31-17-9-3-10-18-31)32-19-11-4-12-20-32;19-11-3-1-9(25-11)13-15-17(23-7-5-21-15)14(10-2-4-12(20)26-10)18-16(13)22-6-8-24-18/h1-28H;1-8H
InChIKeyKUNHEHQONYRGEA-UHFFFAOYSA-N
XLogP18.52
TPSA109.60 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001185.09
LogP ≤ 518.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine?
The IUPAC name of 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine (CID 159244598) is 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine.
What is the SMILES notation for 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine?
The canonical SMILES for 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine is Brc1ccc(-c2c3nccnc3c(-c3ccc(Br)s3)c3nccnc23)s1.c1ccc(N(c2ccccc2)c2ccc(-c3c4nccnc4c(-c4ccc(N(c5ccccc5)c5ccccc5)s4)c4nccnc34)s2)cc1.
What is the InChIKey of 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine?
The InChIKey is KUNHEHQONYRGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N6S2.C18H8Br2N4S2/c1-5-13-29(14-6-1)47(30-15-7-2-8-16-30)35-23-21-33(49-35)37-39-41(45-27-25-43-39)38(42-40(37)44-26-28-46-42)34-22-24-36(50-34)48(31-17-9-3-10-18-31)32-19-11-4-12-20-32;19-11-3-1-9(25-11)13-15-17(23-7-5-21-15)14(10-2-4-12(20)26-10)18-16(13)22-6-8-24-18/h1-28H;1-8H.
What are the key properties of 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine?
5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine has a molecular weight of 1185.09 g/mol, XLogP of 18.52, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(5-bromothiophen-2-yl)pyrazino[2,3-g]quinoxaline;N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]pyrazino[2,3-g]quinoxalin-10-yl]thiophen-2-amine is sourced from PubChem (CID 159244598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).