5-[3-[3-[3,5-bis(4,6-dibromo-3-pyridinyl)phenyl]phenyl]-5-(4,6-dibromo-3-pyridinyl)phenyl]-2,4-dibromopyridine

C38H18Br8N4 — CID 118041847

IUPAC5-[3-[3-[3,5-bis(4,6-dibromo-3-pyridinyl)phenyl]phenyl]-5-(4,6-dibromo-3-pyridinyl)phenyl]-2,4-dibromopyridine
SMILESBrc1cc(Br)c(-c2cc(-c3cccc(-c4cc(-c5cnc(Br)cc5Br)cc(-c5cnc(Br)cc5Br)c4)c3)cc(-c3cnc(Br)cc3Br)c2)cn1
InChIInChI=1S/C38H18Br8N4/c39-31-11-35(43)47-15-27(31)23-5-21(6-24(9-23)28-16-48-36(44)12-32(28)40)19-2-1-3-20(4-19)22-7-25(29-17-49-37(45)13-33(29)41)10-26(8-22)30-18-50-38(46)14-34(30)42/h1-18H
InChIKeyKGSXJMNDCQTVBY-UHFFFAOYSA-N
MW1169.82 g/mol
LogP15.37
Rot. Bonds6

About 5-[3-[3-[3,5-bis(4,6-dibromo-3-pyridinyl)phenyl]phenyl]-5-(4,6-dibromo-3-pyridinyl)phenyl]-2,4-dibromopyridine

5-[3-[3-[3,5-bis(4,6-dibromo-3-pyridinyl)phenyl]phenyl]-5-(4,6-dibromo-3-pyridinyl)phenyl]-2,4-dibromopyridine (PubChem CID 118041847) has the molecular formula C38H18Br8N4 and a molecular weight of 1169.82 g/mol. Its IUPAC name is 5-[3-[3-[3,5-bis(4,6-dibromo-3-pyridinyl)phenyl]phenyl]-5-(4,6-dibromo-3-pyridinyl)phenyl]-2,4-dibromopyridine.

Molecular Properties

Compound Name5-[3-[3-[3,5-bis(4,6-dibromo-3-pyridinyl)phenyl]phenyl]-5-(4,6-dibromo-3-pyridinyl)phenyl]-2,4-dibromopyridine
PubChem CID118041847
Molecular FormulaC38H18Br8N4
Molecular Weight1169.82 g/mol
Exact Mass1161.50
IUPAC Name5-[3-[3-[3,5-bis(4,6-dibromo-3-pyridinyl)phenyl]phenyl]-5-(4,6-dibromo-3-pyridinyl)phenyl]-2,4-dibromopyridine
SMILESBrc1cc(Br)c(-c2cc(-c3cccc(-c4cc(-c5cnc(Br)cc5Br)cc(-c5cnc(Br)cc5Br)c4)c3)cc(-c3cnc(Br)cc3Br)c2)cn1
InChIInChI=1S/C38H18Br8N4/c39-31-11-35(43)47-15-27(31)23-5-21(6-24(9-23)28-16-48-36(44)12-32(28)40)19-2-1-3-20(4-19)22-7-25(29-17-49-37(45)13-33(29)41)10-26(8-22)30-18-50-38(46)14-34(30)42/h1-18H
InChIKeyKGSXJMNDCQTVBY-UHFFFAOYSA-N
XLogP15.37
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001169.82
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[3,5-bis(4,6-dibromo-3-pyridinyl)phenyl]phenyl]-5-(4,6-dibromo-3-pyridinyl)phenyl]-2,4-dibromopyridine?
The IUPAC name of 5-[3-[3-[3,5-bis(4,6-dibromo-3-pyridinyl)phenyl]phenyl]-5-(4,6-dibromo-3-pyridinyl)phenyl]-2,4-dibromopyridine (CID 118041847) is 5-[3-[3-[3,5-bis(4,6-dibromo-3-pyridinyl)phenyl]phenyl]-5-(4,6-dibromo-3-pyridinyl)phenyl]-2,4-dibromopyridine.
What is the SMILES notation for 5-[3-[3-[3,5-bis(4,6-dibromo-3-pyridinyl)phenyl]phenyl]-5-(4,6-dibromo-3-pyridinyl)phenyl]-2,4-dibromopyridine?
The canonical SMILES for 5-[3-[3-[3,5-bis(4,6-dibromo-3-pyridinyl)phenyl]phenyl]-5-(4,6-dibromo-3-pyridinyl)phenyl]-2,4-dibromopyridine is Brc1cc(Br)c(-c2cc(-c3cccc(-c4cc(-c5cnc(Br)cc5Br)cc(-c5cnc(Br)cc5Br)c4)c3)cc(-c3cnc(Br)cc3Br)c2)cn1.
What is the InChIKey of 5-[3-[3-[3,5-bis(4,6-dibromo-3-pyridinyl)phenyl]phenyl]-5-(4,6-dibromo-3-pyridinyl)phenyl]-2,4-dibromopyridine?
The InChIKey is KGSXJMNDCQTVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H18Br8N4/c39-31-11-35(43)47-15-27(31)23-5-21(6-24(9-23)28-16-48-36(44)12-32(28)40)19-2-1-3-20(4-19)22-7-25(29-17-49-37(45)13-33(29)41)10-26(8-22)30-18-50-38(46)14-34(30)42/h1-18H.
What are the key properties of 5-[3-[3-[3,5-bis(4,6-dibromo-3-pyridinyl)phenyl]phenyl]-5-(4,6-dibromo-3-pyridinyl)phenyl]-2,4-dibromopyridine?
5-[3-[3-[3,5-bis(4,6-dibromo-3-pyridinyl)phenyl]phenyl]-5-(4,6-dibromo-3-pyridinyl)phenyl]-2,4-dibromopyridine has a molecular weight of 1169.82 g/mol, XLogP of 15.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[3,5-bis(4,6-dibromo-3-pyridinyl)phenyl]phenyl]-5-(4,6-dibromo-3-pyridinyl)phenyl]-2,4-dibromopyridine is sourced from PubChem (CID 118041847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).