4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine

C40H30N4 — CID 59235722

IUPAC4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine
SMILESc1ccc(-c2ccc(Nc3nccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C40H30N4/c1-4-10-30(11-5-1)32-20-24-35(25-21-32)42-40-41-29-28-39(43-40)34-18-16-31(17-19-34)33-22-26-38(27-23-33)44(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-29H,(H,41,42,43)
InChIKeyUVQNVCCVBLJSEM-UHFFFAOYSA-N
MW566.71 g/mol
LogP10.69
Rot. Bonds8

About 4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine

4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine (PubChem CID 59235722) has the molecular formula C40H30N4 and a molecular weight of 566.71 g/mol. Its IUPAC name is 4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine
PubChem CID59235722
Molecular FormulaC40H30N4
Molecular Weight566.71 g/mol
Exact Mass566.25
IUPAC Name4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine
SMILESc1ccc(-c2ccc(Nc3nccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C40H30N4/c1-4-10-30(11-5-1)32-20-24-35(25-21-32)42-40-41-29-28-39(43-40)34-18-16-31(17-19-34)33-22-26-38(27-23-33)44(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-29H,(H,41,42,43)
InChIKeyUVQNVCCVBLJSEM-UHFFFAOYSA-N
XLogP10.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.71
LogP ≤ 510.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine (CID 59235722) is 4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine is c1ccc(-c2ccc(Nc3nccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine?
The InChIKey is UVQNVCCVBLJSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4/c1-4-10-30(11-5-1)32-20-24-35(25-21-32)42-40-41-29-28-39(43-40)34-18-16-31(17-19-34)33-22-26-38(27-23-33)44(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-29H,(H,41,42,43).
What are the key properties of 4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine?
4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine has a molecular weight of 566.71 g/mol, XLogP of 10.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 59235722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).