21,22-dihydroporphyrin;pyrazine

C36H30N12 — CID 175426535

IUPAC21,22-dihydroporphyrin;pyrazine
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1
InChIInChI=1S/C20H14N4.4C4H4N2/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;4*1-2-6-4-3-5-1/h1-12,21-22H;4*1-4H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;;
InChIKeyDWDHGHRXPGEIOI-YCWHZZGXSA-N
MW630.72 g/mol
LogP6.56
Rot. Bonds

About 21,22-dihydroporphyrin;pyrazine

21,22-dihydroporphyrin;pyrazine (PubChem CID 175426535) has the molecular formula C36H30N12 and a molecular weight of 630.72 g/mol. Its IUPAC name is 21,22-dihydroporphyrin;pyrazine.

Molecular Properties

Compound Name21,22-dihydroporphyrin;pyrazine
PubChem CID175426535
Molecular FormulaC36H30N12
Molecular Weight630.72 g/mol
Exact Mass630.27
IUPAC Name21,22-dihydroporphyrin;pyrazine
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1
InChIInChI=1S/C20H14N4.4C4H4N2/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;4*1-2-6-4-3-5-1/h1-12,21-22H;4*1-4H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;;
InChIKeyDWDHGHRXPGEIOI-YCWHZZGXSA-N
XLogP6.56
TPSA160.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.72
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

zinc 21,22-dihydroporphyrin
CID 21123910
CID 175757831
CID 175757831
azanide;cobalt(2+);21,22-dihydroporphyrin
CID 175060320
21,22-dihydroporphyrin;ethene
CID 158658158
azane;21,22-dihydroporphyrin;iron
CID 175545548
bis(21,22-dihydroporphyrin);nickel;vanadium
CID 175299729
disodium;21,22-dihydroporphyrin;hydride
CID 174339672
dizinc;21,22-dihydroporphyrin;tetraiodide
CID 173436903
azane;21,22-dihydroporphyrin;zinc
CID 175189190
cobalt;21,22-dihydroporphyrin;1,3,5-triazine
CID 175225634
cobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide
CID 175333023
21,23-dihydroporphyrin;trihydrochloride
CID 172691359

Frequently Asked Questions

What is the IUPAC name of 21,22-dihydroporphyrin;pyrazine?
The IUPAC name of 21,22-dihydroporphyrin;pyrazine (CID 175426535) is 21,22-dihydroporphyrin;pyrazine.
What is the SMILES notation for 21,22-dihydroporphyrin;pyrazine?
The canonical SMILES for 21,22-dihydroporphyrin;pyrazine is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.
What is the InChIKey of 21,22-dihydroporphyrin;pyrazine?
The InChIKey is DWDHGHRXPGEIOI-YCWHZZGXSA-N. The full InChI is InChI=1S/C20H14N4.4C4H4N2/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;4*1-2-6-4-3-5-1/h1-12,21-22H;4*1-4H/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;pyrazine?
21,22-dihydroporphyrin;pyrazine has a molecular weight of 630.72 g/mol, XLogP of 6.56, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 21,22-dihydroporphyrin;pyrazine is sourced from PubChem (CID 175426535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).