7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

C44H29BrN4 — CID 135414314

IUPAC7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESBrC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C44H29BrN4/c45-32-27-39-42(30-17-9-3-10-18-30)37-24-23-35(47-37)40(28-13-5-1-6-14-28)33-21-22-34(46-33)41(29-15-7-2-8-16-29)36-25-26-38(48-36)43(44(32)49-39)31-19-11-4-12-20-31/h1-27,47-48H/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-,44-43-
InChIKeyPUHJRVJBTVWPFU-FGSSQFOESA-N
MW693.65 g/mol
LogP12.05
Rot. Bonds4

About 7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (PubChem CID 135414314) has the molecular formula C44H29BrN4 and a molecular weight of 693.65 g/mol. Its IUPAC name is 7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
PubChem CID135414314
Molecular FormulaC44H29BrN4
Molecular Weight693.65 g/mol
Exact Mass692.16
IUPAC Name7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESBrC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C44H29BrN4/c45-32-27-39-42(30-17-9-3-10-18-30)37-24-23-35(47-37)40(28-13-5-1-6-14-28)33-21-22-34(46-33)41(29-15-7-2-8-16-29)36-25-26-38(48-36)43(44(32)49-39)31-19-11-4-12-20-31/h1-27,47-48H/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-,44-43-
InChIKeyPUHJRVJBTVWPFU-FGSSQFOESA-N
XLogP12.05
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.65
LogP ≤ 512.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
20,21,22,23-tetrafluoro-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,19(24),20,22-tridecaene
CID 135401516
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
21-methyl-2,7,12,17-tetraphenyl-21,24,25,26,27-pentazahexacyclo[16.5.1.13,6.18,11.113,16.019,23]heptacosa-1(24),2,4,6,8(26),9,11,13,15,17,19,22-dodecaene
CID 136739940
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
5,8,10,12,13,15,20,23-octakis-phenyl-21H-porphyrin;platinum
CID 87789482
CID 175208777
CID 175208777
5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
CID 135870605
5-bromo-10,20-bis(2,3,4,5,6-pentafluorophenyl)-15-phenyl-21,23-dihydroporphyrin
CID 136777623

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The IUPAC name of 7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (CID 135414314) is 7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is BrC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.
What is the InChIKey of 7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The InChIKey is PUHJRVJBTVWPFU-FGSSQFOESA-N. The full InChI is InChI=1S/C44H29BrN4/c45-32-27-39-42(30-17-9-3-10-18-30)37-24-23-35(47-37)40(28-13-5-1-6-14-28)33-21-22-34(46-33)41(29-15-7-2-8-16-29)36-25-26-38(48-36)43(44(32)49-39)31-19-11-4-12-20-31/h1-27,47-48H/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-,44-43-.
What are the key properties of 7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin has a molecular weight of 693.65 g/mol, XLogP of 12.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 135414314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).