5-phenyl-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin

C41H29N7 — CID 91525469

IUPAC5-phenyl-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
SMILESc1ccc(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccncc3)=c3ccc([nH]3)=C(c3ccncc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C41H29N7/c1-2-4-26(5-3-1)38-30-6-8-32(45-30)39(27-14-20-42-21-15-27)34-10-12-36(47-34)41(29-18-24-44-25-19-29)37-13-11-35(48-37)40(28-16-22-43-23-17-28)33-9-7-31(38)46-33/h1-25,45-48H
InChIKeyIMTAYTAHXCNKAM-UHFFFAOYSA-N
MW619.73 g/mol
LogP4.49
Rot. Bonds4

About 5-phenyl-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin

5-phenyl-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin (PubChem CID 91525469) has the molecular formula C41H29N7 and a molecular weight of 619.73 g/mol. Its IUPAC name is 5-phenyl-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5-phenyl-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
PubChem CID91525469
Molecular FormulaC41H29N7
Molecular Weight619.73 g/mol
Exact Mass619.25
IUPAC Name5-phenyl-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
SMILESc1ccc(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccncc3)=c3ccc([nH]3)=C(c3ccncc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C41H29N7/c1-2-4-26(5-3-1)38-30-6-8-32(45-30)39(27-14-20-42-21-15-27)34-10-12-36(47-34)41(29-18-24-44-25-19-29)37-13-11-35(48-37)40(28-16-22-43-23-17-28)33-9-7-31(38)46-33/h1-25,45-48H
InChIKeyIMTAYTAHXCNKAM-UHFFFAOYSA-N
XLogP4.49
TPSA101.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.73
LogP ≤ 54.49
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
BC-1215
CID 72201045
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
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
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

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5-phenyl-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin (CID 91525469) is 5-phenyl-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5-phenyl-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5-phenyl-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin is c1ccc(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccncc3)=c3ccc([nH]3)=C(c3ccncc3)c3ccc2[nH]3)cc1.
What is the InChIKey of 5-phenyl-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is IMTAYTAHXCNKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N7/c1-2-4-26(5-3-1)38-30-6-8-32(45-30)39(27-14-20-42-21-15-27)34-10-12-36(47-34)41(29-18-24-44-25-19-29)37-13-11-35(48-37)40(28-16-22-43-23-17-28)33-9-7-31(38)46-33/h1-25,45-48H.
What are the key properties of 5-phenyl-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
5-phenyl-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 619.73 g/mol, XLogP of 4.49, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91525469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).