5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin

C44H32N4 — CID 135870605

IUPAC5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1[nH]c(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c2-c2ccccc2)C=C3)CC1
InChIInChI=1S/C44H32N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-25,27,45,48H,26,28H2/b41-34-,42-37-,43-38-,44-40-
InChIKeyUGBLZKXCXPHXSU-XSWNCLSXSA-N
MW616.77 g/mol
LogP10.83
Rot. Bonds4

About 5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin

5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin (PubChem CID 135870605) has the molecular formula C44H32N4 and a molecular weight of 616.77 g/mol. Its IUPAC name is 5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
PubChem CID135870605
Molecular FormulaC44H32N4
Molecular Weight616.77 g/mol
Exact Mass616.26
IUPAC Name5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1[nH]c(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c2-c2ccccc2)C=C3)CC1
InChIInChI=1S/C44H32N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-25,27,45,48H,26,28H2/b41-34-,42-37-,43-38-,44-40-
InChIKeyUGBLZKXCXPHXSU-XSWNCLSXSA-N
XLogP10.83
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 510.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 57348333
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
5,10,15-triphenyl-20-[6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenanthren-3-yl]-21,23-dihydroporphyrin
CID 101030343
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278
5,10,15,20-tetrakis(4-methylphenyl)-2,3,7,8,21,23-hexahydroporphyrin
CID 136801563
CID 175208777
CID 175208777
(2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol
CID 136715659
10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin
CID 10723040
10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin
CID 10627615
5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 101445463

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin (CID 135870605) is 5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin is C1=Cc2nc1c(-c1ccccc1)c1[nH]c(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c2-c2ccccc2)C=C3)CC1.
What is the InChIKey of 5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin?
The InChIKey is UGBLZKXCXPHXSU-XSWNCLSXSA-N. The full InChI is InChI=1S/C44H32N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-25,27,45,48H,26,28H2/b41-34-,42-37-,43-38-,44-40-.
What are the key properties of 5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin?
5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin has a molecular weight of 616.77 g/mol, XLogP of 10.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin is sourced from PubChem (CID 135870605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).