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

C24H15ClN2 — CID 118641062

IUPAC4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine
SMILESClc1cc(-c2cc3ccccc3c3ccccc23)nc(-c2ccccc2)n1
InChIInChI=1S/C24H15ClN2/c25-23-15-22(26-24(27-23)16-8-2-1-3-9-16)21-14-17-10-4-5-11-18(17)19-12-6-7-13-20(19)21/h1-15H
InChIKeyOXABFMUQQCVPTD-UHFFFAOYSA-N
MW366.85 g/mol
LogP6.77
Rot. Bonds2

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

4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine (PubChem CID 118641062) has the molecular formula C24H15ClN2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine
PubChem CID118641062
Molecular FormulaC24H15ClN2
Molecular Weight366.85 g/mol
Exact Mass366.09
IUPAC Name4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine
SMILESClc1cc(-c2cc3ccccc3c3ccccc23)nc(-c2ccccc2)n1
InChIInChI=1S/C24H15ClN2/c25-23-15-22(26-24(27-23)16-8-2-1-3-9-16)21-14-17-10-4-5-11-18(17)19-12-6-7-13-20(19)21/h1-15H
InChIKeyOXABFMUQQCVPTD-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-methyl-6-phenanthren-9-yl-2-phenylpyrimidine
CID 146568663
2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 123546565
2-chloro-4-phenanthren-9-yl-6-phenylpyrimidine
CID 126681895
2-(4-phenanthren-9-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150845
4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
4,6-bis(3-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 89416701
4-[3,5-di(phenanthren-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 89416703
2-(3-phenanthren-9-yl-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 175324946
4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 118641046
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
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine?
The IUPAC name of 4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine (CID 118641062) is 4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine.
What is the SMILES notation for 4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine?
The canonical SMILES for 4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine is Clc1cc(-c2cc3ccccc3c3ccccc23)nc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine?
The InChIKey is OXABFMUQQCVPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2/c25-23-15-22(26-24(27-23)16-8-2-1-3-9-16)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 4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine?
4-chloro-6-phenanthren-9-yl-2-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 4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine is sourced from PubChem (CID 118641062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).