15-phenyl-21,22-dihydroporphyrin

C26H18N4 — CID 11668166

IUPAC15-phenyl-21,22-dihydroporphyrin
SMILESC1=Cc2nc1cc1ccc(cc3ccc(cc4nc(c2-c2ccccc2)C=C4)[nH]3)[nH]1
InChIInChI=1S/C26H18N4/c1-2-4-17(5-3-1)26-24-12-10-22(29-24)15-20-8-6-18(27-20)14-19-7-9-21(28-19)16-23-11-13-25(26)30-23/h1-16,27-28H/b18-14-,19-14-,20-15-,21-16-,22-15-,23-16-,26-24-,26-25-
InChIKeyYTUMONCEWKLIJU-LQIRNWTPSA-N
MW386.46 g/mol
LogP6.32
Rot. Bonds1

About 15-phenyl-21,22-dihydroporphyrin

15-phenyl-21,22-dihydroporphyrin (PubChem CID 11668166) has the molecular formula C26H18N4 and a molecular weight of 386.46 g/mol. Its IUPAC name is 15-phenyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name15-phenyl-21,22-dihydroporphyrin
PubChem CID11668166
Molecular FormulaC26H18N4
Molecular Weight386.46 g/mol
Exact Mass386.15
IUPAC Name15-phenyl-21,22-dihydroporphyrin
SMILESC1=Cc2nc1cc1ccc(cc3ccc(cc4nc(c2-c2ccccc2)C=C4)[nH]3)[nH]1
InChIInChI=1S/C26H18N4/c1-2-4-17(5-3-1)26-24-12-10-22(29-24)15-20-8-6-18(27-20)14-19-7-9-21(28-19)16-23-11-13-25(26)30-23/h1-16,27-28H/b18-14-,19-14-,20-15-,21-16-,22-15-,23-16-,26-24-,26-25-
InChIKeyYTUMONCEWKLIJU-LQIRNWTPSA-N
XLogP6.32
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 15-phenyl-21,22-dihydroporphyrin?
The IUPAC name of 15-phenyl-21,22-dihydroporphyrin (CID 11668166) is 15-phenyl-21,22-dihydroporphyrin.
What is the SMILES notation for 15-phenyl-21,22-dihydroporphyrin?
The canonical SMILES for 15-phenyl-21,22-dihydroporphyrin is C1=Cc2nc1cc1ccc(cc3ccc(cc4nc(c2-c2ccccc2)C=C4)[nH]3)[nH]1.
What is the InChIKey of 15-phenyl-21,22-dihydroporphyrin?
The InChIKey is YTUMONCEWKLIJU-LQIRNWTPSA-N. The full InChI is InChI=1S/C26H18N4/c1-2-4-17(5-3-1)26-24-12-10-22(29-24)15-20-8-6-18(27-20)14-19-7-9-21(28-19)16-23-11-13-25(26)30-23/h1-16,27-28H/b18-14-,19-14-,20-15-,21-16-,22-15-,23-16-,26-24-,26-25-.
What are the key properties of 15-phenyl-21,22-dihydroporphyrin?
15-phenyl-21,22-dihydroporphyrin has a molecular weight of 386.46 g/mol, XLogP of 6.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-21,22-dihydroporphyrin is sourced from PubChem (CID 11668166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).