5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin

C52H32N8 — CID 135516586

IUPAC5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1cccnc1)c1ccc([nH]1)c(-c1cnc3ccccc3c1)c1nc(c(-c3cnc4ccccc4c3)c3ccc([nH]3)c2-c2cnc3ccccc3c2)C=C1
InChIInChI=1S/C52H32N8/c1-4-12-38-31(8-1)24-35(28-54-38)50-43-17-15-41(57-43)49(34-11-7-23-53-27-34)42-16-18-44(58-42)51(36-25-32-9-2-5-13-39(32)55-29-36)46-20-22-48(60-46)52(47-21-19-45(50)59-47)37-26-33-10-3-6-14-40(33)56-30-37/h1-30,57,60H/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,52-47-,52-48-
InChIKeyFETLJWNLPFUUKG-RCOMQYLTSA-N
MW768.88 g/mol
LogP12.36
Rot. Bonds4

About 5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin

5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin (PubChem CID 135516586) has the molecular formula C52H32N8 and a molecular weight of 768.88 g/mol. Its IUPAC name is 5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin
PubChem CID135516586
Molecular FormulaC52H32N8
Molecular Weight768.88 g/mol
Exact Mass768.27
IUPAC Name5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1cccnc1)c1ccc([nH]1)c(-c1cnc3ccccc3c1)c1nc(c(-c3cnc4ccccc4c3)c3ccc([nH]3)c2-c2cnc3ccccc3c2)C=C1
InChIInChI=1S/C52H32N8/c1-4-12-38-31(8-1)24-35(28-54-38)50-43-17-15-41(57-43)49(34-11-7-23-53-27-34)42-16-18-44(58-42)51(36-25-32-9-2-5-13-39(32)55-29-36)46-20-22-48(60-46)52(47-21-19-45(50)59-47)37-26-33-10-3-6-14-40(33)56-30-37/h1-30,57,60H/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,52-47-,52-48-
InChIKeyFETLJWNLPFUUKG-RCOMQYLTSA-N
XLogP12.36
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.88
LogP ≤ 512.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-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

10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin
CID 10627615
5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 135590703
3-(2-pyridin-3-yl-1H-imidazol-5-yl)quinoline
CID 141253791
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
5,10-bis(4-dodecoxyphenyl)-15,20-dipyridin-3-yl-21,23-dihydroporphyrin
CID 137187412
5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 136801783
3-anthracen-9-ylquinoline
CID 170654314
3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline
CID 59861500
3-pyridin-4-ylquinoline
CID 10081720
5,10,15,20-tetrakis[3-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-21,23-dihydroporphyrin
CID 177401837
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin?
The IUPAC name of 5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin (CID 135516586) is 5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin?
The canonical SMILES for 5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1cccnc1)c1ccc([nH]1)c(-c1cnc3ccccc3c1)c1nc(c(-c3cnc4ccccc4c3)c3ccc([nH]3)c2-c2cnc3ccccc3c2)C=C1.
What is the InChIKey of 5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin?
The InChIKey is FETLJWNLPFUUKG-RCOMQYLTSA-N. The full InChI is InChI=1S/C52H32N8/c1-4-12-38-31(8-1)24-35(28-54-38)50-43-17-15-41(57-43)49(34-11-7-23-53-27-34)42-16-18-44(58-42)51(36-25-32-9-2-5-13-39(32)55-29-36)46-20-22-48(60-46)52(47-21-19-45(50)59-47)37-26-33-10-3-6-14-40(33)56-30-37/h1-30,57,60H/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,52-47-,52-48-.
What are the key properties of 5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin?
5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin has a molecular weight of 768.88 g/mol, XLogP of 12.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin is sourced from PubChem (CID 135516586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).