2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline

C24H16Cl2N2 — CID 170133592

IUPAC2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline
SMILESClc1cc(-c2ccccc2)c2ccc3c(c2n1)NC(Cl)C=C3c1ccccc1
InChIInChI=1S/C24H16Cl2N2/c25-21-13-19(15-7-3-1-4-8-15)17-11-12-18-20(16-9-5-2-6-10-16)14-22(26)28-24(18)23(17)27-21/h1-14,21,27H
InChIKeySLXOFUIABXWAEI-UHFFFAOYSA-N
MW403.31 g/mol
LogP6.98
Rot. Bonds2

About 2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline

2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline (PubChem CID 170133592) has the molecular formula C24H16Cl2N2 and a molecular weight of 403.31 g/mol. Its IUPAC name is 2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline
PubChem CID170133592
Molecular FormulaC24H16Cl2N2
Molecular Weight403.31 g/mol
Exact Mass402.07
IUPAC Name2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline
SMILESClc1cc(-c2ccccc2)c2ccc3c(c2n1)NC(Cl)C=C3c1ccccc1
InChIInChI=1S/C24H16Cl2N2/c25-21-13-19(15-7-3-1-4-8-15)17-11-12-18-20(16-9-5-2-6-10-16)14-22(26)28-24(18)23(17)27-21/h1-14,21,27H
InChIKeySLXOFUIABXWAEI-UHFFFAOYSA-N
XLogP6.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.31
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

8-bromo-2-chloro-4-phenylquinoline
CID 43322933
2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline
CID 123682160
6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 133087909
lithium;magnesium;bromomethane;carbanide;dioxomanganese;4,7-diphenyl-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline;2-methyl-4,7-diphenyl-1,10-phenanthroline;bromide
CID 159457574
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline
CID 147902907
2-chloro-6-nitro-4-phenylquinoline
CID 21488599
2,9-bis(2-cyclohexylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 22972033
2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline
CID 156809469
2,6-dichloro-3-methyl-4-phenylpyridine
CID 15154293
2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 11375703
9-chloro-2-(2-methylpropan-2-yl)-4-phenyl-1,10-phenanthroline
CID 172729714

Frequently Asked Questions

What is the IUPAC name of 2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline?
The IUPAC name of 2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline (CID 170133592) is 2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline.
What is the SMILES notation for 2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline?
The canonical SMILES for 2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline is Clc1cc(-c2ccccc2)c2ccc3c(c2n1)NC(Cl)C=C3c1ccccc1.
What is the InChIKey of 2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline?
The InChIKey is SLXOFUIABXWAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N2/c25-21-13-19(15-7-3-1-4-8-15)17-11-12-18-20(16-9-5-2-6-10-16)14-22(26)28-24(18)23(17)27-21/h1-14,21,27H.
What are the key properties of 2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline?
2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline has a molecular weight of 403.31 g/mol, XLogP of 6.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline is sourced from PubChem (CID 170133592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).