2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium

C44H29N6+ — CID 135453726

IUPAC2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium
SMILESN#[N+]c1ccccc1-c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C44H28N6/c45-50-32-19-11-10-18-31(32)44-39-26-24-37(48-39)42(29-14-6-2-7-15-29)35-22-20-33(46-35)41(28-12-4-1-5-13-28)34-21-23-36(47-34)43(30-16-8-3-9-17-30)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-
InChIKeyXFVWMGHRDCXSQA-LWQDQPMZSA-O
MW641.76 g/mol
LogP11.81
Rot. Bonds4

About 2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium

2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium (PubChem CID 135453726) has the molecular formula C44H29N6+ and a molecular weight of 641.76 g/mol. Its IUPAC name is 2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium.

Molecular Properties

Compound Name2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium
PubChem CID135453726
Molecular FormulaC44H29N6+
Molecular Weight641.76 g/mol
Exact Mass641.24
IUPAC Name2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium
SMILESN#[N+]c1ccccc1-c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C44H28N6/c45-50-32-19-11-10-18-31(32)44-39-26-24-37(48-39)42(29-14-6-2-7-15-29)35-22-20-33(46-35)41(28-12-4-1-5-13-28)34-21-23-36(47-34)43(30-16-8-3-9-17-30)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-
InChIKeyXFVWMGHRDCXSQA-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'}

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Related Compounds

4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium
CID 135453728
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 136740277
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
5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-21,23-dihydroporphyrin
CID 146020180
4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzene-1,3-diamine
CID 176998905
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278
CID 175208777
CID 175208777
5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
CID 135870605
5-[(E)-2-iodoethenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 136863679

Frequently Asked Questions

What is the IUPAC name of 2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium?
The IUPAC name of 2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium (CID 135453726) is 2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium.
What is the SMILES notation for 2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium?
The canonical SMILES for 2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium is N#[N+]c1ccccc1-c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of 2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium?
The InChIKey is XFVWMGHRDCXSQA-LWQDQPMZSA-O. The full InChI is InChI=1S/C44H28N6/c45-50-32-19-11-10-18-31(32)44-39-26-24-37(48-39)42(29-14-6-2-7-15-29)35-22-20-33(46-35)41(28-12-4-1-5-13-28)34-21-23-36(47-34)43(30-16-8-3-9-17-30)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 2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium?
2-(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 2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium is sourced from PubChem (CID 135453726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).