tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane

C39H27BiN6 — CID 138972796

IUPACtris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane
SMILESc1cnc2c(c1)ccn2-c1ccc([Bi](c2ccc(-n3ccc4cccnc43)cc2)c2ccc(-n3ccc4cccnc43)cc2)cc1
InChIInChI=1S/3C13H9N2.Bi/c3*1-2-6-12(7-3-1)15-10-8-11-5-4-9-14-13(11)15;/h3*2-10H;
InChIKeyYDWLQUMAULMLIR-UHFFFAOYSA-N
MW788.67 g/mol
LogP6.22
Rot. Bonds6

About tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane

tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane (PubChem CID 138972796) has the molecular formula C39H27BiN6 and a molecular weight of 788.67 g/mol. Its IUPAC name is tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane.

Molecular Properties

Compound Nametris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane
PubChem CID138972796
Molecular FormulaC39H27BiN6
Molecular Weight788.67 g/mol
Exact Mass788.21
IUPAC Nametris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane
SMILESc1cnc2c(c1)ccn2-c1ccc([Bi](c2ccc(-n3ccc4cccnc43)cc2)c2ccc(-n3ccc4cccnc43)cc2)cc1
InChIInChI=1S/3C13H9N2.Bi/c3*1-2-6-12(7-3-1)15-10-8-11-5-4-9-14-13(11)15;/h3*2-10H;
InChIKeyYDWLQUMAULMLIR-UHFFFAOYSA-N
XLogP6.22
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.67
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenylpyrrolo[2,3-b]pyridine
CID 18372148
4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile
CID 53302005
N,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine
CID 44521487
1-[4-[4-methyl-6-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine
CID 126561534
1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 151593977
2-(5-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)propan-2-ol
CID 140781022
3-pyrrolo[2,3-b]pyridin-1-ylpyrrole-2,5-dione
CID 119085561
N-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide
CID 71730687
2-imino-2-pyridin-3-yl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)ethanone
CID 163903684
methane;1-methylpyrrolo[2,3-b]pyridine
CID 142434166
2-[2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1-(1,3-thiazol-2-yl)imidazol-4-yl]-1,3-thiazole
CID 25031194
1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine
CID 141216183

Frequently Asked Questions

What is the IUPAC name of tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane?
The IUPAC name of tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane (CID 138972796) is tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane.
What is the SMILES notation for tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane?
The canonical SMILES for tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane is c1cnc2c(c1)ccn2-c1ccc([Bi](c2ccc(-n3ccc4cccnc43)cc2)c2ccc(-n3ccc4cccnc43)cc2)cc1.
What is the InChIKey of tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane?
The InChIKey is YDWLQUMAULMLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H9N2.Bi/c3*1-2-6-12(7-3-1)15-10-8-11-5-4-9-14-13(11)15;/h3*2-10H;.
What are the key properties of tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane?
tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane has a molecular weight of 788.67 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane is sourced from PubChem (CID 138972796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).