5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin

C40H26Br2N8 — CID 154080106

IUPAC5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin
SMILESBrc1cncc(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccncc3)=c3ccc([nH]3)=C(c3cncc(Br)c3)c3ccc2[nH]3)c1
InChIInChI=1S/C40H26Br2N8/c41-27-17-25(19-45-21-27)39-33-5-3-31(48-33)37(23-9-13-43-14-10-23)29-1-2-30(47-29)38(24-11-15-44-16-12-24)32-4-6-34(49-32)40(36-8-7-35(39)50-36)26-18-28(42)22-46-20-26/h1-22,47-50H
InChIKeyUJRVMUYQPHLJSG-UHFFFAOYSA-N
MW778.51 g/mol
LogP5.41
Rot. Bonds4

About 5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin

5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin (PubChem CID 154080106) has the molecular formula C40H26Br2N8 and a molecular weight of 778.51 g/mol. Its IUPAC name is 5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin
PubChem CID154080106
Molecular FormulaC40H26Br2N8
Molecular Weight778.51 g/mol
Exact Mass776.06
IUPAC Name5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin
SMILESBrc1cncc(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccncc3)=c3ccc([nH]3)=C(c3cncc(Br)c3)c3ccc2[nH]3)c1
InChIInChI=1S/C40H26Br2N8/c41-27-17-25(19-45-21-27)39-33-5-3-31(48-33)37(23-9-13-43-14-10-23)29-1-2-30(47-29)38(24-11-15-44-16-12-24)32-4-6-34(49-32)40(36-8-7-35(39)50-36)26-18-28(42)22-46-20-26/h1-22,47-50H
InChIKeyUJRVMUYQPHLJSG-UHFFFAOYSA-N
XLogP5.41
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.51
LogP ≤ 55.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin with MolForge

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Related Compounds

5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
CID 91460206
5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin
CID 154053299
5-(4-methylphenyl)-10-phenyl-15,20-dipyridin-3-yl-21,22,23,24-tetrahydroporphyrin
CID 90850065
iron(3+);5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin;trichloride
CID 159454747
(4Z,10Z,15Z,19Z)-5,15,20-tris(5-bromo-3-pyridinyl)-10-pyren-1-yl-1,14,21,22,23,24-hexahydroporphyrin
CID 87530513
N-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide
CID 91485582
3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine
CID 58321914
5-(5-bromo-3-pyridinyl)isoquinoline
CID 172649263
2-(5-bromo-3-pyridinyl)pyrimidine
CID 22735178
4-[10,15,20-tris(4-formylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzaldehyde
CID 123358808
6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole
CID 104574633
4-(5-bromo-3-pyridinyl)phenol
CID 68606449

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin (CID 154080106) is 5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin is Brc1cncc(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccncc3)=c3ccc([nH]3)=C(c3cncc(Br)c3)c3ccc2[nH]3)c1.
What is the InChIKey of 5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is UJRVMUYQPHLJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26Br2N8/c41-27-17-25(19-45-21-27)39-33-5-3-31(48-33)37(23-9-13-43-14-10-23)29-1-2-30(47-29)38(24-11-15-44-16-12-24)32-4-6-34(49-32)40(36-8-7-35(39)50-36)26-18-28(42)22-46-20-26/h1-22,47-50H.
What are the key properties of 5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 778.51 g/mol, XLogP of 5.41, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 154080106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).