5-[8-(21,23-dihydroporphyrin-5-yl)biphenylen-1-yl]-21,23-dihydroporphyrin

C52H32N8 — CID 137270214

IUPAC5-[8-(21,23-dihydroporphyrin-5-yl)biphenylen-1-yl]-21,23-dihydroporphyrin
SMILESC1=Cc2cc3ccc([nH]3)c(-c3cccc4c3=c3c(-c5c6nc(cc7ccc(cc8nc(cc9ccc5[nH]9)C=C8)[nH]7)C=C6)cccc3=4)c3nc(cc4ccc(cc1n2)[nH]4)C=C3
InChIInChI=1S/C52H32N8/c1-3-41-42-4-2-6-44(52-47-21-17-39(59-47)27-35-13-9-31(55-35)24-32-10-14-36(56-32)28-40-18-22-48(52)60-40)50(42)49(41)43(5-1)51-45-19-15-37(57-45)25-33-11-7-29(53-33)23-30-8-12-34(54-30)26-38-16-20-46(51)58-38/h1-28,53,55,58,60H/b29-23-,30-23-,31-24-,32-24-,33-25-,34-26-,35-27-,36-28-,37-25-,38-26-,39-27-,40-28-,51-45-,51-46-,52-47-,52-48-
InChIKeyAMZSIBIOUFHOQG-BNYFRNPHSA-N
MW768.88 g/mol
LogP11.85
Rot. Bonds2

About 5-[8-(21,23-dihydroporphyrin-5-yl)biphenylen-1-yl]-21,23-dihydroporphyrin

5-[8-(21,23-dihydroporphyrin-5-yl)biphenylen-1-yl]-21,23-dihydroporphyrin (PubChem CID 137270214) has the molecular formula C52H32N8 and a molecular weight of 768.88 g/mol. Its IUPAC name is 5-[8-(21,23-dihydroporphyrin-5-yl)biphenylen-1-yl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-[8-(21,23-dihydroporphyrin-5-yl)biphenylen-1-yl]-21,23-dihydroporphyrin
PubChem CID137270214
Molecular FormulaC52H32N8
Molecular Weight768.88 g/mol
Exact Mass768.27
IUPAC Name5-[8-(21,23-dihydroporphyrin-5-yl)biphenylen-1-yl]-21,23-dihydroporphyrin
SMILESC1=Cc2cc3ccc([nH]3)c(-c3cccc4c3=c3c(-c5c6nc(cc7ccc(cc8nc(cc9ccc5[nH]9)C=C8)[nH]7)C=C6)cccc3=4)c3nc(cc4ccc(cc1n2)[nH]4)C=C3
InChIInChI=1S/C52H32N8/c1-3-41-42-4-2-6-44(52-47-21-17-39(59-47)27-35-13-9-31(55-35)24-32-10-14-36(56-32)28-40-18-22-48(52)60-40)50(42)49(41)43(5-1)51-45-19-15-37(57-45)25-33-11-7-29(53-33)23-30-8-12-34(54-30)26-38-16-20-46(51)58-38/h1-28,53,55,58,60H/b29-23-,30-23-,31-24-,32-24-,33-25-,34-26-,35-27-,36-28-,37-25-,38-26-,39-27-,40-28-,51-45-,51-46-,52-47-,52-48-
InChIKeyAMZSIBIOUFHOQG-BNYFRNPHSA-N
XLogP11.85
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.88
LogP ≤ 511.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[4-(21,23-dihydroporphyrin-5-yl)phenyl]phenyl]-21,23-dihydroporphyrin
CID 136749783
5-benzo[a]anthracen-1-yl-21,23-dihydroporphyrin;cobalt
CID 159060149
5-(2,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin
CID 174499207
5,15-bis(2,6-dimethylphenyl)-21,22-dihydroporphyrin
CID 163359228
2-[10-(2-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 175941388
5-(4-methylphenyl)-21,23-dihydroporphyrin;trihydroiodide
CID 174453543
2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline
CID 141332732
2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline
CID 141332730
10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381
23,24-dihydro-21H-porphyrin-5-one
CID 66692742
3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 141240243
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794

Frequently Asked Questions

What is the IUPAC name of 5-[8-(21,23-dihydroporphyrin-5-yl)biphenylen-1-yl]-21,23-dihydroporphyrin?
The IUPAC name of 5-[8-(21,23-dihydroporphyrin-5-yl)biphenylen-1-yl]-21,23-dihydroporphyrin (CID 137270214) is 5-[8-(21,23-dihydroporphyrin-5-yl)biphenylen-1-yl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5-[8-(21,23-dihydroporphyrin-5-yl)biphenylen-1-yl]-21,23-dihydroporphyrin?
The canonical SMILES for 5-[8-(21,23-dihydroporphyrin-5-yl)biphenylen-1-yl]-21,23-dihydroporphyrin is C1=Cc2cc3ccc([nH]3)c(-c3cccc4c3=c3c(-c5c6nc(cc7ccc(cc8nc(cc9ccc5[nH]9)C=C8)[nH]7)C=C6)cccc3=4)c3nc(cc4ccc(cc1n2)[nH]4)C=C3.
What is the InChIKey of 5-[8-(21,23-dihydroporphyrin-5-yl)biphenylen-1-yl]-21,23-dihydroporphyrin?
The InChIKey is AMZSIBIOUFHOQG-BNYFRNPHSA-N. The full InChI is InChI=1S/C52H32N8/c1-3-41-42-4-2-6-44(52-47-21-17-39(59-47)27-35-13-9-31(55-35)24-32-10-14-36(56-32)28-40-18-22-48(52)60-40)50(42)49(41)43(5-1)51-45-19-15-37(57-45)25-33-11-7-29(53-33)23-30-8-12-34(54-30)26-38-16-20-46(51)58-38/h1-28,53,55,58,60H/b29-23-,30-23-,31-24-,32-24-,33-25-,34-26-,35-27-,36-28-,37-25-,38-26-,39-27-,40-28-,51-45-,51-46-,52-47-,52-48-.
What are the key properties of 5-[8-(21,23-dihydroporphyrin-5-yl)biphenylen-1-yl]-21,23-dihydroporphyrin?
5-[8-(21,23-dihydroporphyrin-5-yl)biphenylen-1-yl]-21,23-dihydroporphyrin has a molecular weight of 768.88 g/mol, XLogP of 11.85, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(21,23-dihydroporphyrin-5-yl)biphenylen-1-yl]-21,23-dihydroporphyrin is sourced from PubChem (CID 137270214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).