5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin

C38H25BrN4 — CID 135425278

IUPAC5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
SMILESBrc1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C38H25BrN4/c39-38-33-22-20-31(42-33)36(25-12-6-2-7-13-25)29-18-16-27(40-29)35(24-10-4-1-5-11-24)28-17-19-30(41-28)37(26-14-8-3-9-15-26)32-21-23-34(38)43-32/h1-23,40,43H/b35-27-,35-28-,36-29-,36-31-,37-30-,37-32-,38-33+,38-34+
InChIKeySSDAPHKBPYAYKP-YVFGNCJRSA-N
MW617.55 g/mol
LogP10.42
Rot. Bonds3

About 5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin

5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin (PubChem CID 135425278) has the molecular formula C38H25BrN4 and a molecular weight of 617.55 g/mol. Its IUPAC name is 5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
PubChem CID135425278
Molecular FormulaC38H25BrN4
Molecular Weight617.55 g/mol
Exact Mass616.13
IUPAC Name5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
SMILESBrc1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C38H25BrN4/c39-38-33-22-20-31(42-33)36(25-12-6-2-7-13-25)29-18-16-27(40-29)35(24-10-4-1-5-11-24)28-17-19-30(41-28)37(26-14-8-3-9-15-26)32-21-23-34(38)43-32/h1-23,40,43H/b35-27-,35-28-,36-29-,36-31-,37-30-,37-32-,38-33+,38-34+
InChIKeySSDAPHKBPYAYKP-YVFGNCJRSA-N
XLogP10.42
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.55
LogP ≤ 510.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-10,20-bis(2,3,4,5,6-pentafluorophenyl)-15-phenyl-21,23-dihydroporphyrin
CID 136777623
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin
CID 173159582
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
7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 135414314
5-bromo-10,20-diphenyl-15-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-21,22-dihydroporphyrin
CID 11665098
CID 175208777
CID 175208777
5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
CID 135870605
24-bromo-5-methoxy-2,7,12,17-tetraphenyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene
CID 136674981
(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-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin?
The IUPAC name of 5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin (CID 135425278) is 5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin is Brc1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of 5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin?
The InChIKey is SSDAPHKBPYAYKP-YVFGNCJRSA-N. The full InChI is InChI=1S/C38H25BrN4/c39-38-33-22-20-31(42-33)36(25-12-6-2-7-13-25)29-18-16-27(40-29)35(24-10-4-1-5-11-24)28-17-19-30(41-28)37(26-14-8-3-9-15-26)32-21-23-34(38)43-32/h1-23,40,43H/b35-27-,35-28-,36-29-,36-31-,37-30-,37-32-,38-33+,38-34+.
What are the key properties of 5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin?
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin has a molecular weight of 617.55 g/mol, XLogP of 10.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 135425278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).