5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin

C32H20Br2N4 — CID 11192872

IUPAC5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin
SMILESBrc1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(Br)c3ccc([nH]3)c(-c3ccccc3)c3nc1C=C3)C=C2
InChIInChI=1S/C32H20Br2N4/c33-31-25-15-11-21(35-25)29(19-7-3-1-4-8-19)22-12-16-26(36-22)32(34)28-18-14-24(38-28)30(20-9-5-2-6-10-20)23-13-17-27(31)37-23/h1-18,35,37H/b29-21-,29-22-,30-23-,30-24-,31-25+,31-27+,32-26+,32-28+
InChIKeyXBGDWJTUQWOPHM-IBRKNYKGSA-N
MW620.35 g/mol
LogP9.51
Rot. Bonds2

About 5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin

5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin (PubChem CID 11192872) has the molecular formula C32H20Br2N4 and a molecular weight of 620.35 g/mol. Its IUPAC name is 5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin
PubChem CID11192872
Molecular FormulaC32H20Br2N4
Molecular Weight620.35 g/mol
Exact Mass618.01
IUPAC Name5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin
SMILESBrc1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(Br)c3ccc([nH]3)c(-c3ccccc3)c3nc1C=C3)C=C2
InChIInChI=1S/C32H20Br2N4/c33-31-25-15-11-21(35-25)29(19-7-3-1-4-8-19)22-12-16-26(36-22)32(34)28-18-14-24(38-28)30(20-9-5-2-6-10-20)23-13-17-27(31)37-23/h1-18,35,37H/b29-21-,29-22-,30-23-,30-24-,31-25+,31-27+,32-26+,32-28+
InChIKeyXBGDWJTUQWOPHM-IBRKNYKGSA-N
XLogP9.51
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.35
LogP ≤ 59.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin?
The IUPAC name of 5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin (CID 11192872) is 5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin.
What is the SMILES notation for 5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin?
The canonical SMILES for 5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin is Brc1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(Br)c3ccc([nH]3)c(-c3ccccc3)c3nc1C=C3)C=C2.
What is the InChIKey of 5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin?
The InChIKey is XBGDWJTUQWOPHM-IBRKNYKGSA-N. The full InChI is InChI=1S/C32H20Br2N4/c33-31-25-15-11-21(35-25)29(19-7-3-1-4-8-19)22-12-16-26(36-22)32(34)28-18-14-24(38-28)30(20-9-5-2-6-10-20)23-13-17-27(31)37-23/h1-18,35,37H/b29-21-,29-22-,30-23-,30-24-,31-25+,31-27+,32-26+,32-28+.
What are the key properties of 5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin?
5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin has a molecular weight of 620.35 g/mol, XLogP of 9.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin is sourced from PubChem (CID 11192872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).