4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium

C44H29N6+ — CID 135453728

IUPAC4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium
SMILESN#[N+]c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C44H28N6/c45-50-32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-2-7-13-29)35-22-20-33(46-35)41(28-10-4-1-5-11-28)34-21-23-36(47-34)43(30-14-8-3-9-15-30)38-25-27-40(44)49-38/h1-27,45H/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyUYBPLHCUWCGSSJ-LWQDQPMZSA-O
MW641.76 g/mol
LogP11.81
Rot. Bonds4

About 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium

4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium (PubChem CID 135453728) has the molecular formula C44H29N6+ and a molecular weight of 641.76 g/mol. Its IUPAC name is 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium.

Molecular Properties

Compound Name4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium
PubChem CID135453728
Molecular FormulaC44H29N6+
Molecular Weight641.76 g/mol
Exact Mass641.24
IUPAC Name4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium
SMILESN#[N+]c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C44H28N6/c45-50-32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-2-7-13-29)35-22-20-33(46-35)41(28-10-4-1-5-11-28)34-21-23-36(47-34)43(30-14-8-3-9-15-30)38-25-27-40(44)49-38/h1-27,45H/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyUYBPLHCUWCGSSJ-LWQDQPMZSA-O
XLogP11.81
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.76
LogP ≤ 511.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium 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

copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium
CID 135453726
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
5,10,15-triphenyl-20-[6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenanthren-3-yl]-21,23-dihydroporphyrin
CID 101030343
3,5-bis[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,2,4-triazol-4-amine
CID 101236444
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278
1-[4-[20-[4-(2,5-dioxopyrrol-1-yl)phenyl]-10,15-diphenyl-21,23-dihydroporphyrin-5-yl]phenyl]pyrrole-2,5-dione
CID 136703643
(19S,21R)-2,7,12,17-tetraphenyl-22,23,24,25-tetrazahexacyclo[16.3.1.13,6.18,11.113,16.019,21]pentacosa-1(22),2,4,6,8(24),9,11,13,15,17-decaene-20,20-dicarbonitrile
CID 11966846
CID 175208777
CID 175208777
5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
CID 135870605

Frequently Asked Questions

What is the IUPAC name of 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium?
The IUPAC name of 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium (CID 135453728) is 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium.
What is the SMILES notation for 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium?
The canonical SMILES for 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium is N#[N+]c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium?
The InChIKey is UYBPLHCUWCGSSJ-LWQDQPMZSA-O. The full InChI is InChI=1S/C44H28N6/c45-50-32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-2-7-13-29)35-22-20-33(46-35)41(28-10-4-1-5-11-28)34-21-23-36(47-34)43(30-14-8-3-9-15-30)38-25-27-40(44)49-38/h1-27,45H/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-.
What are the key properties of 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium?
4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium has a molecular weight of 641.76 g/mol, XLogP of 11.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium is sourced from PubChem (CID 135453728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).