2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine

C24H15ClN2 — CID 126681895

IUPAC2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine
SMILESClc1nc(-c2ccccc2)cc(-c2cc3ccccc3c3ccccc23)n1
InChIInChI=1S/C24H15ClN2/c25-24-26-22(16-8-2-1-3-9-16)15-23(27-24)21-14-17-10-4-5-11-18(17)19-12-6-7-13-20(19)21/h1-15H
InChIKeyAZVKFHZBIBXEBK-UHFFFAOYSA-N
MW366.85 g/mol
LogP6.77
Rot. Bonds2

About 2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine

2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine (PubChem CID 126681895) has the molecular formula C24H15ClN2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine
PubChem CID126681895
Molecular FormulaC24H15ClN2
Molecular Weight366.85 g/mol
Exact Mass366.09
IUPAC Name2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine
SMILESClc1nc(-c2ccccc2)cc(-c2cc3ccccc3c3ccccc23)n1
InChIInChI=1S/C24H15ClN2/c25-24-26-22(16-8-2-1-3-9-16)15-23(27-24)21-14-17-10-4-5-11-18(17)19-12-6-7-13-20(19)21/h1-15H
InChIKeyAZVKFHZBIBXEBK-UHFFFAOYSA-N
XLogP6.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine
CID 118641062
2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 123546565
4-[3,5-di(phenanthren-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 89416703
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine
CID 59428688
4-(3-chloronaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171525545
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-di(phenanthren-9-yl)benzo[h]quinoline
CID 89137298
2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine
CID 88558011
4,6-bis(3-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 89416701
4-methyl-6-phenanthren-9-yl-2-phenylpyrimidine
CID 146568663
4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,6-di(phenanthren-9-yl)benzo[h]quinoline
CID 89016586
2-chloro-4-[4-[4-(2-iodo-6-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenylpyrimidine
CID 88562869
2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline
CID 155022949

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine?
The IUPAC name of 2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine (CID 126681895) is 2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine.
What is the SMILES notation for 2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine?
The canonical SMILES for 2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine is Clc1nc(-c2ccccc2)cc(-c2cc3ccccc3c3ccccc23)n1.
What is the InChIKey of 2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine?
The InChIKey is AZVKFHZBIBXEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2/c25-24-26-22(16-8-2-1-3-9-16)15-23(27-24)21-14-17-10-4-5-11-18(17)19-12-6-7-13-20(19)21/h1-15H.
What are the key properties of 2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine?
2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine has a molecular weight of 366.85 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine is sourced from PubChem (CID 126681895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).