2-(4-propyl-2-pyridinyl)-21,22-dihydroporphyrin

C28H23N5 — CID 154141632

IUPAC2-(4-propyl-2-pyridinyl)-21,22-dihydroporphyrin
SMILESCCCc1ccnc(-c2cc3cc4ccc(cc5nc(cc6nc(cc2[nH]3)C=C6)C=C5)[nH]4)c1
InChIInChI=1S/C28H23N5/c1-2-3-18-10-11-29-27(12-18)26-16-25-15-23-7-6-21(31-23)13-19-4-5-20(30-19)14-22-8-9-24(32-22)17-28(26)33-25/h4-17,31,33H,2-3H2,1H3/b19-13-,20-14-,21-13-,22-14-,23-15-,24-17-,25-15-,28-17-
InChIKeyBQLIJVPXFZKMTO-YGKYYQRHSA-N
MW429.53 g/mol
LogP6.67
Rot. Bonds3

About 2-(4-propyl-2-pyridinyl)-21,22-dihydroporphyrin

2-(4-propyl-2-pyridinyl)-21,22-dihydroporphyrin (PubChem CID 154141632) has the molecular formula C28H23N5 and a molecular weight of 429.53 g/mol. Its IUPAC name is 2-(4-propyl-2-pyridinyl)-21,22-dihydroporphyrin.

Molecular Properties

Compound Name2-(4-propyl-2-pyridinyl)-21,22-dihydroporphyrin
PubChem CID154141632
Molecular FormulaC28H23N5
Molecular Weight429.53 g/mol
Exact Mass429.20
IUPAC Name2-(4-propyl-2-pyridinyl)-21,22-dihydroporphyrin
SMILESCCCc1ccnc(-c2cc3cc4ccc(cc5nc(cc6nc(cc2[nH]3)C=C6)C=C5)[nH]4)c1
InChIInChI=1S/C28H23N5/c1-2-3-18-10-11-29-27(12-18)26-16-25-15-23-7-6-21(31-23)13-19-4-5-20(30-19)14-22-8-9-24(32-22)17-28(26)33-25/h4-17,31,33H,2-3H2,1H3/b19-13-,20-14-,21-13-,22-14-,23-15-,24-17-,25-15-,28-17-
InChIKeyBQLIJVPXFZKMTO-YGKYYQRHSA-N
XLogP6.67
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.53
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 157119570
CID 157119570
2-(3-tetradecyl-2-pyridinyl)-21,22-dihydroporphyrin
CID 23024643
2-undecyl-21,22-dihydroporphyrin
CID 70152692
2-(5-hexylthiophen-2-yl)-21,22-dihydroporphyrin
CID 160943824
2-(3,4,5-trihexoxyphenyl)-21,22-dihydroporphyrin
CID 160670225
2-ethyl-21,22-dihydroporphyrin;nickel
CID 174658544
dizinc;21,22-dihydroporphyrin;tetraiodide
CID 173436903
2-(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin
CID 23510854
argon;2-phenyl-21,22-dihydroporphyrin
CID 174855611
cobalt;21,22-dihydroporphyrin;ethanol
CID 174944613
21,22-dihydroporphyrin;1-propylsulfanylpropane
CID 159828087
2-(3,5-dimethoxyphenyl)-21,22-dihydroporphyrin
CID 22228529

Frequently Asked Questions

What is the IUPAC name of 2-(4-propyl-2-pyridinyl)-21,22-dihydroporphyrin?
The IUPAC name of 2-(4-propyl-2-pyridinyl)-21,22-dihydroporphyrin (CID 154141632) is 2-(4-propyl-2-pyridinyl)-21,22-dihydroporphyrin.
What is the SMILES notation for 2-(4-propyl-2-pyridinyl)-21,22-dihydroporphyrin?
The canonical SMILES for 2-(4-propyl-2-pyridinyl)-21,22-dihydroporphyrin is CCCc1ccnc(-c2cc3cc4ccc(cc5nc(cc6nc(cc2[nH]3)C=C6)C=C5)[nH]4)c1.
What is the InChIKey of 2-(4-propyl-2-pyridinyl)-21,22-dihydroporphyrin?
The InChIKey is BQLIJVPXFZKMTO-YGKYYQRHSA-N. The full InChI is InChI=1S/C28H23N5/c1-2-3-18-10-11-29-27(12-18)26-16-25-15-23-7-6-21(31-23)13-19-4-5-20(30-19)14-22-8-9-24(32-22)17-28(26)33-25/h4-17,31,33H,2-3H2,1H3/b19-13-,20-14-,21-13-,22-14-,23-15-,24-17-,25-15-,28-17-.
What are the key properties of 2-(4-propyl-2-pyridinyl)-21,22-dihydroporphyrin?
2-(4-propyl-2-pyridinyl)-21,22-dihydroporphyrin has a molecular weight of 429.53 g/mol, XLogP of 6.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propyl-2-pyridinyl)-21,22-dihydroporphyrin is sourced from PubChem (CID 154141632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).