2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol

C23H16Br2N4O — CID 135421745

IUPAC2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(N/N=C/c2ccc(Br)cc2)n1
InChIInChI=1S/C23H16Br2N4O/c24-17-9-5-15(6-10-17)14-26-29-23-27-20(16-7-11-18(25)12-8-16)13-21(28-23)19-3-1-2-4-22(19)30/h1-14,30H,(H,27,28,29)/b26-14+
InChIKeyPIANRDKPXSFNNY-VULFUBBASA-N
MW524.22 g/mol
LogP6.49
Rot. Bonds5

About 2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol

2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol (PubChem CID 135421745) has the molecular formula C23H16Br2N4O and a molecular weight of 524.22 g/mol. Its IUPAC name is 2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol
PubChem CID135421745
Molecular FormulaC23H16Br2N4O
Molecular Weight524.22 g/mol
Exact Mass521.97
IUPAC Name2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(N/N=C/c2ccc(Br)cc2)n1
InChIInChI=1S/C23H16Br2N4O/c24-17-9-5-15(6-10-17)14-26-29-23-27-20(16-7-11-18(25)12-8-16)13-21(28-23)19-3-1-2-4-22(19)30/h1-14,30H,(H,27,28,29)/b26-14+
InChIKeyPIANRDKPXSFNNY-VULFUBBASA-N
XLogP6.49
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.22
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol?
The IUPAC name of 2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol (CID 135421745) is 2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol is Oc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(N/N=C/c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol?
The InChIKey is PIANRDKPXSFNNY-VULFUBBASA-N. The full InChI is InChI=1S/C23H16Br2N4O/c24-17-9-5-15(6-10-17)14-26-29-23-27-20(16-7-11-18(25)12-8-16)13-21(28-23)19-3-1-2-4-22(19)30/h1-14,30H,(H,27,28,29)/b26-14+.
What are the key properties of 2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol?
2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol has a molecular weight of 524.22 g/mol, XLogP of 6.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol is sourced from PubChem (CID 135421745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).