8-[4-[4-phenyl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline

C40H26N4 — CID 58322654

IUPAC8-[4-[4-phenyl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5cccnc45)cc3)nc(-c3ccc(-c4cccc5cccnc45)cc3)n2)cc1
InChIInChI=1S/C40H26N4/c1-2-8-29(9-3-1)36-26-37(30-20-16-27(17-21-30)34-14-4-10-31-12-6-24-41-38(31)34)44-40(43-36)33-22-18-28(19-23-33)35-15-5-11-32-13-7-25-42-39(32)35/h1-26H
InChIKeyDAQBVZUKTMATTR-UHFFFAOYSA-N
MW562.68 g/mol
LogP9.91
Rot. Bonds5

About 8-[4-[4-phenyl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline

8-[4-[4-phenyl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline (PubChem CID 58322654) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 8-[4-[4-phenyl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[4-phenyl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline
PubChem CID58322654
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name8-[4-[4-phenyl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5cccnc45)cc3)nc(-c3ccc(-c4cccc5cccnc45)cc3)n2)cc1
InChIInChI=1S/C40H26N4/c1-2-8-29(9-3-1)36-26-37(30-20-16-27(17-21-30)34-14-4-10-31-12-6-24-41-38(31)34)44-40(43-36)33-22-18-28(19-23-33)35-15-5-11-32-13-7-25-42-39(32)35/h1-26H
InChIKeyDAQBVZUKTMATTR-UHFFFAOYSA-N
XLogP9.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-phenyl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline?
The IUPAC name of 8-[4-[4-phenyl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline (CID 58322654) is 8-[4-[4-phenyl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[4-phenyl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline?
The canonical SMILES for 8-[4-[4-phenyl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline is c1ccc(-c2cc(-c3ccc(-c4cccc5cccnc45)cc3)nc(-c3ccc(-c4cccc5cccnc45)cc3)n2)cc1.
What is the InChIKey of 8-[4-[4-phenyl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline?
The InChIKey is DAQBVZUKTMATTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-2-8-29(9-3-1)36-26-37(30-20-16-27(17-21-30)34-14-4-10-31-12-6-24-41-38(31)34)44-40(43-36)33-22-18-28(19-23-33)35-15-5-11-32-13-7-25-42-39(32)35/h1-26H.
What are the key properties of 8-[4-[4-phenyl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline?
8-[4-[4-phenyl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline has a molecular weight of 562.68 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-phenyl-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline is sourced from PubChem (CID 58322654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).