5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin

C43H29N5 — CID 135403354

IUPAC5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccncc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C43H29N5/c1-4-10-28(11-5-1)40-32-16-18-34(45-32)41(29-12-6-2-7-13-29)36-20-22-38(47-36)43(31-24-26-44-27-25-31)39-23-21-37(48-39)42(30-14-8-3-9-15-30)35-19-17-33(40)46-35/h1-27,45,48H/b40-32-,40-33-,41-34-,41-36-,42-35-,42-37-,43-38-,43-39-
InChIKeyGKFIIZUTJIZSDM-GBQNNRHKSA-N
MW615.74 g/mol
LogP10.72
Rot. Bonds4

About 5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin

5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin (PubChem CID 135403354) has the molecular formula C43H29N5 and a molecular weight of 615.74 g/mol. Its IUPAC name is 5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
PubChem CID135403354
Molecular FormulaC43H29N5
Molecular Weight615.74 g/mol
Exact Mass615.24
IUPAC Name5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccncc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C43H29N5/c1-4-10-28(11-5-1)40-32-16-18-34(45-32)41(29-12-6-2-7-13-29)36-20-22-38(47-36)43(31-24-26-44-27-25-31)39-23-21-37(48-39)42(30-14-8-3-9-15-30)35-19-17-33(40)46-35/h1-27,45,48H/b40-32-,40-33-,41-34-,41-36-,42-35-,42-37-,43-38-,43-39-
InChIKeyGKFIIZUTJIZSDM-GBQNNRHKSA-N
XLogP10.72
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 510.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
acetic acid;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin
CID 135956863
tetrakis(1-phenyl-4-propan-2-ylbenzene);ruthenium;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin;octachloride
CID 135955737
10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin
CID 10627615
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
5,15-bis(4-ethynylphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin
CID 137274122
palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
CID 138402828
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278
CID 175208777
CID 175208777
5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
CID 135870605
(2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol
CID 136715659

Frequently Asked Questions

What is the IUPAC name of 5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin (CID 135403354) is 5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccncc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.
What is the InChIKey of 5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin?
The InChIKey is GKFIIZUTJIZSDM-GBQNNRHKSA-N. The full InChI is InChI=1S/C43H29N5/c1-4-10-28(11-5-1)40-32-16-18-34(45-32)41(29-12-6-2-7-13-29)36-20-22-38(47-36)43(31-24-26-44-27-25-31)39-23-21-37(48-39)42(30-14-8-3-9-15-30)35-19-17-33(40)46-35/h1-27,45,48H/b40-32-,40-33-,41-34-,41-36-,42-35-,42-37-,43-38-,43-39-.
What are the key properties of 5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin?
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin has a molecular weight of 615.74 g/mol, XLogP of 10.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin is sourced from PubChem (CID 135403354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).