5,15-diphenyl-10,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin

C42H30N6 — CID 91187903

IUPAC5,15-diphenyl-10,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin
SMILESc1ccc(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccncc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C42H30N6/c1-3-7-27(8-4-1)39-31-11-15-35(45-31)41(29-19-23-43-24-20-29)37-17-13-33(47-37)40(28-9-5-2-6-10-28)34-14-18-38(48-34)42(30-21-25-44-26-22-30)36-16-12-32(39)46-36/h1-26,45-48H
InChIKeyVYZDATJVCQTPMP-UHFFFAOYSA-N
MW618.74 g/mol
LogP5.09
Rot. Bonds4

About 5,15-diphenyl-10,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin

5,15-diphenyl-10,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin (PubChem CID 91187903) has the molecular formula C42H30N6 and a molecular weight of 618.74 g/mol. Its IUPAC name is 5,15-diphenyl-10,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,15-diphenyl-10,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin
PubChem CID91187903
Molecular FormulaC42H30N6
Molecular Weight618.74 g/mol
Exact Mass618.25
IUPAC Name5,15-diphenyl-10,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin
SMILESc1ccc(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccncc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C42H30N6/c1-3-7-27(8-4-1)39-31-11-15-35(45-31)41(29-19-23-43-24-20-29)37-17-13-33(47-37)40(28-9-5-2-6-10-28)34-14-18-38(48-34)42(30-21-25-44-26-22-30)36-16-12-32(39)46-36/h1-26,45-48H
InChIKeyVYZDATJVCQTPMP-UHFFFAOYSA-N
XLogP5.09
TPSA88.94 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.74
LogP ≤ 55.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

3,3'-Diindolylmethane
CID 3071
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
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
3-Indolecarboxylaldehyde, azine
CID 135400613
5,10,15,20-Tetra(1-methyl-4-pyridyl)-porphyrin
CID 4234
N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-amine
CID 10172517
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
3-((1H-Indol-2-yl)methyl)-1H-indole
CID 10900930

Frequently Asked Questions

What is the IUPAC name of 5,15-diphenyl-10,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,15-diphenyl-10,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin (CID 91187903) is 5,15-diphenyl-10,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,15-diphenyl-10,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,15-diphenyl-10,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin is c1ccc(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccncc3)c3ccc2[nH]3)cc1.
What is the InChIKey of 5,15-diphenyl-10,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is VYZDATJVCQTPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N6/c1-3-7-27(8-4-1)39-31-11-15-35(45-31)41(29-19-23-43-24-20-29)37-17-13-33(47-37)40(28-9-5-2-6-10-28)34-14-18-38(48-34)42(30-21-25-44-26-22-30)36-16-12-32(39)46-36/h1-26,45-48H.
What are the key properties of 5,15-diphenyl-10,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
5,15-diphenyl-10,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 618.74 g/mol, XLogP of 5.09, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-diphenyl-10,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91187903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).