4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol

C53H57N5O — CID 136701566

IUPAC4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol
SMILESCCCCCc1c2nc(c(CCCCC)c3ccc([nH]3)c(-c3ccc(N(c4ccccc4)c4ccc(O)cc4)cc3)c3nc(c(CCCCC)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C53H57N5O/c1-4-7-11-18-42-45-29-31-47(54-45)43(19-12-8-5-2)49-33-35-51(56-49)53(52-36-34-50(57-52)44(20-13-9-6-3)48-32-30-46(42)55-48)37-21-23-39(24-22-37)58(38-16-14-10-15-17-38)40-25-27-41(59)28-26-40/h10,14-17,21-36,54,57,59H,4-9,11-13,18-20H2,1-3H3/b45-42-,46-42-,47-43-,48-44-,49-43-,50-44-,53-51-,53-52-
InChIKeyZXISVDPQYBIUMY-RZWSKVFUSA-N
MW780.07 g/mol
LogP14.70
Rot. Bonds16

About 4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol

4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol (PubChem CID 136701566) has the molecular formula C53H57N5O and a molecular weight of 780.07 g/mol. Its IUPAC name is 4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol.

Molecular Properties

Compound Name4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol
PubChem CID136701566
Molecular FormulaC53H57N5O
Molecular Weight780.07 g/mol
Exact Mass779.46
IUPAC Name4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol
SMILESCCCCCc1c2nc(c(CCCCC)c3ccc([nH]3)c(-c3ccc(N(c4ccccc4)c4ccc(O)cc4)cc3)c3nc(c(CCCCC)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C53H57N5O/c1-4-7-11-18-42-45-29-31-47(54-45)43(19-12-8-5-2)49-33-35-51(56-49)53(52-36-34-50(57-52)44(20-13-9-6-3)48-32-30-46(42)55-48)37-21-23-39(24-22-37)58(38-16-14-10-15-17-38)40-25-27-41(59)28-26-40/h10,14-17,21-36,54,57,59H,4-9,11-13,18-20H2,1-3H3/b45-42-,46-42-,47-43-,48-44-,49-43-,50-44-,53-51-,53-52-
InChIKeyZXISVDPQYBIUMY-RZWSKVFUSA-N
XLogP14.70
TPSA80.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.07
LogP ≤ 514.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol 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

3-(15-hexyl-10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenol
CID 136798654
5,15-bis(4-ethynylphenyl)-10,20-dipentyl-21,22-dihydroporphyrin
CID 136754225
10,15,20-tripentyl-5-[4-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]phenyl]-21,22-dihydroporphyrin
CID 11194197
4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
CID 101169394
2-[10-hexyl-20-(4-methoxyphenyl)-15-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 44519560
5,10,15,20-tetra(tridecyl)-21,22-dihydroporphyrin
CID 86045230
(2S)-5,15-bis(3-hydroxyphenyl)-10,20-di(tridecyl)-2,3,22,24-tetrahydroporphyrin-2,3-diol
CID 138494259
2-[10-hexyl-20-(4-methoxyphenyl)-15-[5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-yl]-21,23-dihydroporphyrin-5-yl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 44519396
5-heptyl-10,15,20-tris(3-methoxyphenyl)-21,23-dihydroporphyrin
CID 136798653
platinum;4-[10,15,20-tris(4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 159589008
4-[(12S,13R)-10-butyl-15-(4-carboxyphenyl)-20-hexyl-12,13-dihydroxy-12,13,22,24-tetrahydroporphyrin-5-yl]benzoic acid;ethane
CID 143961271
10,20-dipentyl-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 10699782

Frequently Asked Questions

What is the IUPAC name of 4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol?
The IUPAC name of 4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol (CID 136701566) is 4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol.
What is the SMILES notation for 4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol?
The canonical SMILES for 4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol is CCCCCc1c2nc(c(CCCCC)c3ccc([nH]3)c(-c3ccc(N(c4ccccc4)c4ccc(O)cc4)cc3)c3nc(c(CCCCC)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of 4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol?
The InChIKey is ZXISVDPQYBIUMY-RZWSKVFUSA-N. The full InChI is InChI=1S/C53H57N5O/c1-4-7-11-18-42-45-29-31-47(54-45)43(19-12-8-5-2)49-33-35-51(56-49)53(52-36-34-50(57-52)44(20-13-9-6-3)48-32-30-46(42)55-48)37-21-23-39(24-22-37)58(38-16-14-10-15-17-38)40-25-27-41(59)28-26-40/h10,14-17,21-36,54,57,59H,4-9,11-13,18-20H2,1-3H3/b45-42-,46-42-,47-43-,48-44-,49-43-,50-44-,53-51-,53-52-.
What are the key properties of 4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol?
4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol has a molecular weight of 780.07 g/mol, XLogP of 14.70, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[4-(10,15,20-tripentyl-21,23-dihydroporphyrin-5-yl)phenyl]anilino)phenol is sourced from PubChem (CID 136701566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).