21,22-dihydroporphyrin;stilbene

C34H26N4 — CID 159218898

IUPAC21,22-dihydroporphyrin;stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3
InChIInChI=1S/C20H14N4.C14H12/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;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12,21-22H;1-12H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyQVCZMOAXPSVVQG-QDJBTJTOSA-N
MW490.61 g/mol
LogP8.51
Rot. Bonds2

About 21,22-dihydroporphyrin;stilbene

21,22-dihydroporphyrin;stilbene (PubChem CID 159218898) has the molecular formula C34H26N4 and a molecular weight of 490.61 g/mol. Its IUPAC name is 21,22-dihydroporphyrin;stilbene.

Molecular Properties

Compound Name21,22-dihydroporphyrin;stilbene
PubChem CID159218898
Molecular FormulaC34H26N4
Molecular Weight490.61 g/mol
Exact Mass490.22
IUPAC Name21,22-dihydroporphyrin;stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3
InChIInChI=1S/C20H14N4.C14H12/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;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12,21-22H;1-12H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyQVCZMOAXPSVVQG-QDJBTJTOSA-N
XLogP8.51
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 58.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 21,22-dihydroporphyrin;stilbene?
The IUPAC name of 21,22-dihydroporphyrin;stilbene (CID 159218898) is 21,22-dihydroporphyrin;stilbene.
What is the SMILES notation for 21,22-dihydroporphyrin;stilbene?
The canonical SMILES for 21,22-dihydroporphyrin;stilbene is C(=Cc1ccccc1)c1ccccc1.C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.
What is the InChIKey of 21,22-dihydroporphyrin;stilbene?
The InChIKey is QVCZMOAXPSVVQG-QDJBTJTOSA-N. The full InChI is InChI=1S/C20H14N4.C14H12/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;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12,21-22H;1-12H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;.
What are the key properties of 21,22-dihydroporphyrin;stilbene?
21,22-dihydroporphyrin;stilbene has a molecular weight of 490.61 g/mol, XLogP of 8.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 21,22-dihydroporphyrin;stilbene is sourced from PubChem (CID 159218898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).