argon;2-phenyl-21,22-dihydroporphyrin

C26H18ArN4 — CID 174855611

IUPACargon;2-phenyl-21,22-dihydroporphyrin
SMILESC1=Cc2cc3ccc(cc4cc(-c5ccccc5)c(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Ar]
InChIInChI=1S/C26H18N4.Ar/c1-2-4-17(5-3-1)25-15-24-14-22-9-8-20(28-22)12-18-6-7-19(27-18)13-21-10-11-23(29-21)16-26(25)30-24;/h1-16,28,30H;/b18-12-,19-13-,20-12-,21-13-,22-14-,23-16-,24-14-,26-16-;
InChIKeyDZPQFQLHFVITAV-WCSAAMJVSA-N
MW426.41 g/mol
LogP6.32
Rot. Bonds1

About argon;2-phenyl-21,22-dihydroporphyrin

argon;2-phenyl-21,22-dihydroporphyrin (PubChem CID 174855611) has the molecular formula C26H18ArN4 and a molecular weight of 426.41 g/mol. Its IUPAC name is argon;2-phenyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Nameargon;2-phenyl-21,22-dihydroporphyrin
PubChem CID174855611
Molecular FormulaC26H18ArN4
Molecular Weight426.41 g/mol
Exact Mass426.12
IUPAC Nameargon;2-phenyl-21,22-dihydroporphyrin
SMILESC1=Cc2cc3ccc(cc4cc(-c5ccccc5)c(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Ar]
InChIInChI=1S/C26H18N4.Ar/c1-2-4-17(5-3-1)25-15-24-14-22-9-8-20(28-22)12-18-6-7-19(27-18)13-21-10-11-23(29-21)16-26(25)30-24;/h1-16,28,30H;/b18-12-,19-13-,20-12-,21-13-,22-14-,23-16-,24-14-,26-16-;
InChIKeyDZPQFQLHFVITAV-WCSAAMJVSA-N
XLogP6.32
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.41
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 157119570
CID 157119570
2-(3,5-dimethoxyphenyl)-21,22-dihydroporphyrin
CID 22228529
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benzene;21,22-dihydroporphyrin;nickel;hydrate
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2-(1-benzothiophen-2-yl)-21,22-dihydroporphyrin
CID 70566297
2-(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin
CID 23510854
2-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin
CID 22228528
2-[4-(2-bromoethoxy)phenyl]-21,22-dihydroporphyrin
CID 172831949
2-(21,22-dihydroporphyrin-2-yl)benzenesulfonic acid
CID 19382115
CID 175757831
CID 175757831

Frequently Asked Questions

What is the IUPAC name of argon;2-phenyl-21,22-dihydroporphyrin?
The IUPAC name of argon;2-phenyl-21,22-dihydroporphyrin (CID 174855611) is argon;2-phenyl-21,22-dihydroporphyrin.
What is the SMILES notation for argon;2-phenyl-21,22-dihydroporphyrin?
The canonical SMILES for argon;2-phenyl-21,22-dihydroporphyrin is C1=Cc2cc3ccc(cc4cc(-c5ccccc5)c(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Ar].
What is the InChIKey of argon;2-phenyl-21,22-dihydroporphyrin?
The InChIKey is DZPQFQLHFVITAV-WCSAAMJVSA-N. The full InChI is InChI=1S/C26H18N4.Ar/c1-2-4-17(5-3-1)25-15-24-14-22-9-8-20(28-22)12-18-6-7-19(27-18)13-21-10-11-23(29-21)16-26(25)30-24;/h1-16,28,30H;/b18-12-,19-13-,20-12-,21-13-,22-14-,23-16-,24-14-,26-16-;.
What are the key properties of argon;2-phenyl-21,22-dihydroporphyrin?
argon;2-phenyl-21,22-dihydroporphyrin has a molecular weight of 426.41 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 argon;2-phenyl-21,22-dihydroporphyrin is sourced from PubChem (CID 174855611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).