10-[6-(9,9-diphenylacridin-10-yl)pyrazin-2-yl]-9,9-diphenylacridine

C54H38N4 — CID 155269246

IUPAC10-[6-(9,9-diphenylacridin-10-yl)pyrazin-2-yl]-9,9-diphenylacridine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3N(c3cncc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)n3)c3ccccc32)cc1
InChIInChI=1S/C54H38N4/c1-5-21-39(22-6-1)53(40-23-7-2-8-24-40)43-29-13-17-33-47(43)57(48-34-18-14-30-44(48)53)51-37-55-38-52(56-51)58-49-35-19-15-31-45(49)54(41-25-9-3-10-26-41,42-27-11-4-12-28-42)46-32-16-20-36-50(46)58/h1-38H
InChIKeyIDPVDQWIJPIQDI-UHFFFAOYSA-N
MW742.93 g/mol
LogP12.81
Rot. Bonds6

About 10-[6-(9,9-diphenylacridin-10-yl)pyrazin-2-yl]-9,9-diphenylacridine

10-[6-(9,9-diphenylacridin-10-yl)pyrazin-2-yl]-9,9-diphenylacridine (PubChem CID 155269246) has the molecular formula C54H38N4 and a molecular weight of 742.93 g/mol. Its IUPAC name is 10-[6-(9,9-diphenylacridin-10-yl)pyrazin-2-yl]-9,9-diphenylacridine.

Molecular Properties

Compound Name10-[6-(9,9-diphenylacridin-10-yl)pyrazin-2-yl]-9,9-diphenylacridine
PubChem CID155269246
Molecular FormulaC54H38N4
Molecular Weight742.93 g/mol
Exact Mass742.31
IUPAC Name10-[6-(9,9-diphenylacridin-10-yl)pyrazin-2-yl]-9,9-diphenylacridine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3N(c3cncc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)n3)c3ccccc32)cc1
InChIInChI=1S/C54H38N4/c1-5-21-39(22-6-1)53(40-23-7-2-8-24-40)43-29-13-17-33-47(43)57(48-34-18-14-30-44(48)53)51-37-55-38-52(56-51)58-49-35-19-15-31-45(49)54(41-25-9-3-10-26-41,42-27-11-4-12-28-42)46-32-16-20-36-50(46)58/h1-38H
InChIKeyIDPVDQWIJPIQDI-UHFFFAOYSA-N
XLogP12.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.93
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[6-(9,9-diphenylacridin-10-yl)pyrazin-2-yl]-9,9-diphenylacridine?
The IUPAC name of 10-[6-(9,9-diphenylacridin-10-yl)pyrazin-2-yl]-9,9-diphenylacridine (CID 155269246) is 10-[6-(9,9-diphenylacridin-10-yl)pyrazin-2-yl]-9,9-diphenylacridine.
What is the SMILES notation for 10-[6-(9,9-diphenylacridin-10-yl)pyrazin-2-yl]-9,9-diphenylacridine?
The canonical SMILES for 10-[6-(9,9-diphenylacridin-10-yl)pyrazin-2-yl]-9,9-diphenylacridine is c1ccc(C2(c3ccccc3)c3ccccc3N(c3cncc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)n3)c3ccccc32)cc1.
What is the InChIKey of 10-[6-(9,9-diphenylacridin-10-yl)pyrazin-2-yl]-9,9-diphenylacridine?
The InChIKey is IDPVDQWIJPIQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4/c1-5-21-39(22-6-1)53(40-23-7-2-8-24-40)43-29-13-17-33-47(43)57(48-34-18-14-30-44(48)53)51-37-55-38-52(56-51)58-49-35-19-15-31-45(49)54(41-25-9-3-10-26-41,42-27-11-4-12-28-42)46-32-16-20-36-50(46)58/h1-38H.
What are the key properties of 10-[6-(9,9-diphenylacridin-10-yl)pyrazin-2-yl]-9,9-diphenylacridine?
10-[6-(9,9-diphenylacridin-10-yl)pyrazin-2-yl]-9,9-diphenylacridine has a molecular weight of 742.93 g/mol, XLogP of 12.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(9,9-diphenylacridin-10-yl)pyrazin-2-yl]-9,9-diphenylacridine is sourced from PubChem (CID 155269246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).