10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin

C43H29N5 — CID 10627615

IUPAC10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3cccnc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C43H29N5/c1-4-11-28(12-5-1)40-32-18-20-34(45-32)41(29-13-6-2-7-14-29)36-22-24-38(47-36)43(31-17-10-26-44-27-31)39-25-23-37(48-39)42(30-15-8-3-9-16-30)35-21-19-33(40)46-35/h1-27,47-48H/b40-32-,40-33-,41-34-,41-36-,42-35-,42-37-,43-38-,43-39-
InChIKeyPEVRIEIPNSSIFS-GBQNNRHKSA-N
MW615.74 g/mol
LogP10.72
Rot. Bonds4

About 10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin

10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin (PubChem CID 10627615) has the molecular formula C43H29N5 and a molecular weight of 615.74 g/mol. Its IUPAC name is 10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin
PubChem CID10627615
Molecular FormulaC43H29N5
Molecular Weight615.74 g/mol
Exact Mass615.24
IUPAC Name10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3cccnc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C43H29N5/c1-4-11-28(12-5-1)40-32-18-20-34(45-32)41(29-13-6-2-7-14-29)36-22-24-38(47-36)43(31-17-10-26-44-27-31)39-25-23-37(48-39)42(30-15-8-3-9-16-30)35-21-19-33(40)46-35/h1-27,47-48H/b40-32-,40-33-,41-34-,41-36-,42-35-,42-37-,43-38-,43-39-
InChIKeyPEVRIEIPNSSIFS-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

5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 135590703
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin
CID 135516586
5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 136801783
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
5,10-bis(4-dodecoxyphenyl)-15,20-dipyridin-3-yl-21,23-dihydroporphyrin
CID 137187412
12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene
CID 176570038
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

Frequently Asked Questions

What is the IUPAC name of 10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin?
The IUPAC name of 10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin (CID 10627615) is 10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin.
What is the SMILES notation for 10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin?
The canonical SMILES for 10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin is C1=Cc2nc1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3cccnc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.
What is the InChIKey of 10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin?
The InChIKey is PEVRIEIPNSSIFS-GBQNNRHKSA-N. The full InChI is InChI=1S/C43H29N5/c1-4-11-28(12-5-1)40-32-18-20-34(45-32)41(29-13-6-2-7-14-29)36-22-24-38(47-36)43(31-17-10-26-44-27-31)39-25-23-37(48-39)42(30-15-8-3-9-16-30)35-21-19-33(40)46-35/h1-27,47-48H/b40-32-,40-33-,41-34-,41-36-,42-35-,42-37-,43-38-,43-39-.
What are the key properties of 10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin?
10,15,20-triphenyl-5-pyridin-3-yl-21,22-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 10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin is sourced from PubChem (CID 10627615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).