5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin

C55H53N5 — CID 136801783

IUPAC5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
SMILESCCCCc1ccc(-c2c3nc(c(-c4ccc(CCCC)cc4)c4ccc([nH]4)c(-c4cccnc4)c4nc(c(-c5ccc(CCCC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C55H53N5/c1-4-7-11-37-15-21-40(22-16-37)52-44-27-29-46(57-44)53(41-23-17-38(18-24-41)12-8-5-2)48-31-33-50(59-48)55(43-14-10-35-56-36-43)51-34-32-49(60-51)54(47-30-28-45(52)58-47)42-25-19-39(20-26-42)13-9-6-3/h10,14-36,57,60H,4-9,11-13H2,1-3H3/b52-44-,52-45-,53-46-,53-48-,54-47-,54-49-,55-50-,55-51-
InChIKeyKGQYEVREOVMGOH-DHSWGDOPSA-N
MW784.06 g/mol
LogP14.75
Rot. Bonds13

About 5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin

5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin (PubChem CID 136801783) has the molecular formula C55H53N5 and a molecular weight of 784.06 g/mol. Its IUPAC name is 5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
PubChem CID136801783
Molecular FormulaC55H53N5
Molecular Weight784.06 g/mol
Exact Mass783.43
IUPAC Name5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
SMILESCCCCc1ccc(-c2c3nc(c(-c4ccc(CCCC)cc4)c4ccc([nH]4)c(-c4cccnc4)c4nc(c(-c5ccc(CCCC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C55H53N5/c1-4-7-11-37-15-21-40(22-16-37)52-44-27-29-46(57-44)53(41-23-17-38(18-24-41)12-8-5-2)48-31-33-50(59-48)55(43-14-10-35-56-36-43)51-34-32-49(60-51)54(47-30-28-45(52)58-47)42-25-19-39(20-26-42)13-9-6-3/h10,14-36,57,60H,4-9,11-13H2,1-3H3/b52-44-,52-45-,53-46-,53-48-,54-47-,54-49-,55-50-,55-51-
InChIKeyKGQYEVREOVMGOH-DHSWGDOPSA-N
XLogP14.75
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.06
LogP ≤ 514.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,10,15-tris(4-butylphenyl)-20-pyridin-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

5,10-bis(4-dodecoxyphenyl)-15,20-dipyridin-3-yl-21,23-dihydroporphyrin
CID 137187412
5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 135590703
10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin
CID 10627615
5,15-bis[4-(3-iodopropyl)phenyl]-10,20-bis(4-phenylphenyl)-21,23-dihydroporphyrin
CID 137072443
tributyl-[[4-[10,15,20-tris[4-[(tributylazaniumyl)methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]azanium
CID 136785734
15-[4-(2-bromoethyl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin
CID 11593008
5,10,15,20-tetrakis[4-(hexadecoxymethyl)phenyl]-21,23-dihydroporphyrin
CID 170895192
5,10,15-tris(4-octoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136819984
5,15-bis(4-octadecoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin
CID 136754426
5-pyridin-3-yl-10,15,20-tri(quinolin-3-yl)-21,23-dihydroporphyrin
CID 135516586
N-butyl-4-[10,15,20-tris[4-(butylamino)phenyl]-21,23-dihydroporphyrin-5-yl]aniline
CID 135491288
5,10,15,20-tetrakis(4-dodecylsulfonylphenyl)-21,23-dihydroporphyrin
CID 136900324

Frequently Asked Questions

What is the IUPAC name of 5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin (CID 136801783) is 5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin is CCCCc1ccc(-c2c3nc(c(-c4ccc(CCCC)cc4)c4ccc([nH]4)c(-c4cccnc4)c4nc(c(-c5ccc(CCCC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin?
The InChIKey is KGQYEVREOVMGOH-DHSWGDOPSA-N. The full InChI is InChI=1S/C55H53N5/c1-4-7-11-37-15-21-40(22-16-37)52-44-27-29-46(57-44)53(41-23-17-38(18-24-41)12-8-5-2)48-31-33-50(59-48)55(43-14-10-35-56-36-43)51-34-32-49(60-51)54(47-30-28-45(52)58-47)42-25-19-39(20-26-42)13-9-6-3/h10,14-36,57,60H,4-9,11-13H2,1-3H3/b52-44-,52-45-,53-46-,53-48-,54-47-,54-49-,55-50-,55-51-.
What are the key properties of 5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin?
5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin has a molecular weight of 784.06 g/mol, XLogP of 14.75, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-tris(4-butylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin is sourced from PubChem (CID 136801783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).