2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

C50H33BrN4 — CID 154013194

IUPAC2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESBrc1ccc(-c2cc3[nH]c2c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c3-c3ccccc3)C=C4)C=C2)cc1
InChIInChI=1S/C50H33BrN4/c51-37-23-21-32(22-24-37)38-31-45-48(35-17-9-3-10-18-35)43-28-27-41(53-43)46(33-13-5-1-6-14-33)39-25-26-40(52-39)47(34-15-7-2-8-16-34)42-29-30-44(54-42)49(50(38)55-45)36-19-11-4-12-20-36/h1-31,52,55H/b46-39-,46-41-,47-40-,47-42-,48-43-,48-45-,49-44-,50-49-
InChIKeyRUBKHIDZPARGBL-XTLVLRLWSA-N
MW769.75 g/mol
LogP13.75
Rot. Bonds5

About 2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin

2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (PubChem CID 154013194) has the molecular formula C50H33BrN4 and a molecular weight of 769.75 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
PubChem CID154013194
Molecular FormulaC50H33BrN4
Molecular Weight769.75 g/mol
Exact Mass768.19
IUPAC Name2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
SMILESBrc1ccc(-c2cc3[nH]c2c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c3-c3ccccc3)C=C4)C=C2)cc1
InChIInChI=1S/C50H33BrN4/c51-37-23-21-32(22-24-37)38-31-45-48(35-17-9-3-10-18-35)43-28-27-41(53-43)46(33-13-5-1-6-14-33)39-25-26-40(52-39)47(34-15-7-2-8-16-34)42-29-30-44(54-42)49(50(38)55-45)36-19-11-4-12-20-36/h1-31,52,55H/b46-39-,46-41-,47-40-,47-42-,48-43-,48-45-,49-44-,50-49-
InChIKeyRUBKHIDZPARGBL-XTLVLRLWSA-N
XLogP13.75
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.75
LogP ≤ 513.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-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

5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-21,23-dihydroporphyrin
CID 146020180
CID 169095894
CID 169095894
cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin
CID 175743178
14,19,24-triphenyl-12,28,29,30-tetrazaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10,13(31),14,16,18(30),19,21,23,25(28),26-tetradecaen-9-one
CID 136677028
gold;2,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 174635245
2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 10031928
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 136712274
6-(4-bromophenyl)-11,16-diphenyl-21-oxa-20,22,23-triazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1,3,5,7,9,11,13,15,17(20),18-decaene
CID 136857652
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
4-[10,15,20-tris(4-bromophenyl)-21,23-dihydroporphyrin-5-yl]phenol;zinc
CID 175076695

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The IUPAC name of 2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin (CID 154013194) is 2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is Brc1ccc(-c2cc3[nH]c2c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c3-c3ccccc3)C=C4)C=C2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
The InChIKey is RUBKHIDZPARGBL-XTLVLRLWSA-N. The full InChI is InChI=1S/C50H33BrN4/c51-37-23-21-32(22-24-37)38-31-45-48(35-17-9-3-10-18-35)43-28-27-41(53-43)46(33-13-5-1-6-14-33)39-25-26-40(52-39)47(34-15-7-2-8-16-34)42-29-30-44(54-42)49(50(38)55-45)36-19-11-4-12-20-36/h1-31,52,55H/b46-39-,46-41-,47-40-,47-42-,48-43-,48-45-,49-44-,50-49-.
What are the key properties of 2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin?
2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin has a molecular weight of 769.75 g/mol, XLogP of 13.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 154013194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).