bismuthane;porphyrin

C20H15BiN4 — CID 174978505

IUPACbismuthane;porphyrin
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.[BiH3]
InChIInChI=1S/C20H12N4.Bi.3H/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;;;;/h1-12H;;;;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;;
InChIKeyDLVMMGNWEDOASM-YCWHZZGXSA-N
MW520.35 g/mol
LogP2.39
Rot. Bonds

About bismuthane;porphyrin

bismuthane;porphyrin (PubChem CID 174978505) has the molecular formula C20H15BiN4 and a molecular weight of 520.35 g/mol. Its IUPAC name is bismuthane;porphyrin.

Molecular Properties

Compound Namebismuthane;porphyrin
PubChem CID174978505
Molecular FormulaC20H15BiN4
Molecular Weight520.35 g/mol
Exact Mass520.11
IUPAC Namebismuthane;porphyrin
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.[BiH3]
InChIInChI=1S/C20H12N4.Bi.3H/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;;;;/h1-12H;;;;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;;
InChIKeyDLVMMGNWEDOASM-YCWHZZGXSA-N
XLogP2.39
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bismuthane;porphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bismuthane;porphyrin?
The IUPAC name of bismuthane;porphyrin (CID 174978505) is bismuthane;porphyrin.
What is the SMILES notation for bismuthane;porphyrin?
The canonical SMILES for bismuthane;porphyrin is C1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.[BiH3].
What is the InChIKey of bismuthane;porphyrin?
The InChIKey is DLVMMGNWEDOASM-YCWHZZGXSA-N. The full InChI is InChI=1S/C20H12N4.Bi.3H/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;;;;/h1-12H;;;;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;;.
What are the key properties of bismuthane;porphyrin?
bismuthane;porphyrin has a molecular weight of 520.35 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bismuthane;porphyrin is sourced from PubChem (CID 174978505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).