4,7-bis(4-bromophenyl)-1,10-phenanthroline

C24H14Br2N2 — CID 18759610

IUPAC4,7-bis(4-bromophenyl)-1,10-phenanthroline
SMILESBrc1ccc(-c2ccnc3c2ccc2c(-c4ccc(Br)cc4)ccnc23)cc1
InChIInChI=1S/C24H14Br2N2/c25-17-5-1-15(2-6-17)19-11-13-27-23-21(19)9-10-22-20(12-14-28-24(22)23)16-3-7-18(26)8-4-16/h1-14H
InChIKeyQALMOXHIAPMJAB-UHFFFAOYSA-N
MW490.20 g/mol
LogP7.64
Rot. Bonds2

About 4,7-bis(4-bromophenyl)-1,10-phenanthroline

4,7-bis(4-bromophenyl)-1,10-phenanthroline (PubChem CID 18759610) has the molecular formula C24H14Br2N2 and a molecular weight of 490.20 g/mol. Its IUPAC name is 4,7-bis(4-bromophenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-bis(4-bromophenyl)-1,10-phenanthroline
PubChem CID18759610
Molecular FormulaC24H14Br2N2
Molecular Weight490.20 g/mol
Exact Mass487.95
IUPAC Name4,7-bis(4-bromophenyl)-1,10-phenanthroline
SMILESBrc1ccc(-c2ccnc3c2ccc2c(-c4ccc(Br)cc4)ccnc23)cc1
InChIInChI=1S/C24H14Br2N2/c25-17-5-1-15(2-6-17)19-11-13-27-23-21(19)9-10-22-20(12-14-28-24(22)23)16-3-7-18(26)8-4-16/h1-14H
InChIKeyQALMOXHIAPMJAB-UHFFFAOYSA-N
XLogP7.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.20
LogP ≤ 57.64
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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Frequently Asked Questions

What is the IUPAC name of 4,7-bis(4-bromophenyl)-1,10-phenanthroline?
The IUPAC name of 4,7-bis(4-bromophenyl)-1,10-phenanthroline (CID 18759610) is 4,7-bis(4-bromophenyl)-1,10-phenanthroline.
What is the SMILES notation for 4,7-bis(4-bromophenyl)-1,10-phenanthroline?
The canonical SMILES for 4,7-bis(4-bromophenyl)-1,10-phenanthroline is Brc1ccc(-c2ccnc3c2ccc2c(-c4ccc(Br)cc4)ccnc23)cc1.
What is the InChIKey of 4,7-bis(4-bromophenyl)-1,10-phenanthroline?
The InChIKey is QALMOXHIAPMJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Br2N2/c25-17-5-1-15(2-6-17)19-11-13-27-23-21(19)9-10-22-20(12-14-28-24(22)23)16-3-7-18(26)8-4-16/h1-14H.
What are the key properties of 4,7-bis(4-bromophenyl)-1,10-phenanthroline?
4,7-bis(4-bromophenyl)-1,10-phenanthroline has a molecular weight of 490.20 g/mol, XLogP of 7.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(4-bromophenyl)-1,10-phenanthroline is sourced from PubChem (CID 18759610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).