5,10,15-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin

C35H25N7 — CID 57014633

IUPAC5,10,15-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
SMILESC1=c2ccc([nH]2)=C(c2ccncc2)c2ccc([nH]2)C(c2ccncc2)=c2ccc([nH]2)=C(c2ccncc2)c2ccc1[nH]2
InChIInChI=1S/C35H25N7/c1-3-27-33(22-9-15-36-16-10-22)29-5-7-31(41-29)35(24-13-19-38-20-14-24)32-8-6-30(42-32)34(23-11-17-37-18-12-23)28-4-2-26(40-28)21-25(1)39-27/h1-21,39-42H
InChIKeyKPXUNZLYXHNZSN-UHFFFAOYSA-N
MW543.63 g/mol
LogP3.07
Rot. Bonds3

About 5,10,15-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin

5,10,15-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin (PubChem CID 57014633) has the molecular formula C35H25N7 and a molecular weight of 543.63 g/mol. Its IUPAC name is 5,10,15-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
PubChem CID57014633
Molecular FormulaC35H25N7
Molecular Weight543.63 g/mol
Exact Mass543.22
IUPAC Name5,10,15-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
SMILESC1=c2ccc([nH]2)=C(c2ccncc2)c2ccc([nH]2)C(c2ccncc2)=c2ccc([nH]2)=C(c2ccncc2)c2ccc1[nH]2
InChIInChI=1S/C35H25N7/c1-3-27-33(22-9-15-36-16-10-22)29-5-7-31(41-29)35(24-13-19-38-20-14-24)32-8-6-30(42-32)34(23-11-17-37-18-12-23)28-4-2-26(40-28)21-25(1)39-27/h1-21,39-42H
InChIKeyKPXUNZLYXHNZSN-UHFFFAOYSA-N
XLogP3.07
TPSA101.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.63
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
CID 500899
meso-Tetrakis(2-N-methylpyridyl)porphine
CID 135398505
5,10,15,20-Tetra(4-pyridyl)porphyrin
CID 135411729
5,10,15,20-Tetra(1-methyl-4-pyridyl)-porphyrin
CID 4234
4-[5-(1-Ethyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-1H-pyrrol-3-yl]-pyridine
CID 15550445
3,3'-(2-pyridinylmethylene)bis-1H-indole
CID 2907031
tetrakis(N-methyl-4-pyridiniumyl)porphine manganese(III) complex
CID 5486195
3,3'-(piperazine-1,4-diyldimethanediyl)bis(1H-indole)
CID 412865
4-[2-(4-Fluoro-phenyl)-4-methyl-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399291
1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-ylmethyl}-cyclopropylamine
CID 44399308
2-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-ethylamine
CID 44399613
3-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-propylamine
CID 44399722

Frequently Asked Questions

What is the IUPAC name of 5,10,15-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin (CID 57014633) is 5,10,15-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin is C1=c2ccc([nH]2)=C(c2ccncc2)c2ccc([nH]2)C(c2ccncc2)=c2ccc([nH]2)=C(c2ccncc2)c2ccc1[nH]2.
What is the InChIKey of 5,10,15-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is KPXUNZLYXHNZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N7/c1-3-27-33(22-9-15-36-16-10-22)29-5-7-31(41-29)35(24-13-19-38-20-14-24)32-8-6-30(42-32)34(23-11-17-37-18-12-23)28-4-2-26(40-28)21-25(1)39-27/h1-21,39-42H.
What are the key properties of 5,10,15-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
5,10,15-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 543.63 g/mol, XLogP of 3.07, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 57014633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).