5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin

C46H32N4 — CID 11585655

IUPAC5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin
SMILESC=C(c1ccccc1)c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc1C=C3)C=C2
InChIInChI=1S/C46H32N4/c1-30(31-14-6-2-7-15-31)43-35-22-24-37(47-35)44(32-16-8-3-9-17-32)39-26-28-41(49-39)46(34-20-12-5-13-21-34)42-29-27-40(50-42)45(33-18-10-4-11-19-33)38-25-23-36(43)48-38/h2-29,49-50H,1H2/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-
InChIKeyWYQVKRWFEKHDEN-CRLDETFASA-N
MW640.79 g/mol
LogP11.72
Rot. Bonds5

About 5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin

5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin (PubChem CID 11585655) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin.

Molecular Properties

Compound Name5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin
PubChem CID11585655
Molecular FormulaC46H32N4
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin
SMILESC=C(c1ccccc1)c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc1C=C3)C=C2
InChIInChI=1S/C46H32N4/c1-30(31-14-6-2-7-15-31)43-35-22-24-37(47-35)44(32-16-8-3-9-17-32)39-26-28-41(49-39)46(34-20-12-5-13-21-34)42-29-27-40(50-42)45(33-18-10-4-11-19-33)38-25-23-36(43)48-38/h2-29,49-50H,1H2/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-
InChIKeyWYQVKRWFEKHDEN-CRLDETFASA-N
XLogP11.72
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 511.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin with MolForge

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Related Compounds

copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
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CID 158544247
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
CID 175208777
CID 175208777
5-[(3E)-penta-1,3-dien-3-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 165365897
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
(2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol
CID 136715659
4-(5,15-diphenyl-22,23-dihydro-21H-corrin-10-yl)benzoic acid
CID 136902021
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278
5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 101445463
5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
CID 135870605
3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol
CID 3979172

Frequently Asked Questions

What is the IUPAC name of 5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin?
The IUPAC name of 5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin (CID 11585655) is 5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin.
What is the SMILES notation for 5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin?
The canonical SMILES for 5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin is C=C(c1ccccc1)c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc1C=C3)C=C2.
What is the InChIKey of 5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin?
The InChIKey is WYQVKRWFEKHDEN-CRLDETFASA-N. The full InChI is InChI=1S/C46H32N4/c1-30(31-14-6-2-7-15-31)43-35-22-24-37(47-35)44(32-16-8-3-9-17-32)39-26-28-41(49-39)46(34-20-12-5-13-21-34)42-29-27-40(50-42)45(33-18-10-4-11-19-33)38-25-23-36(43)48-38/h2-29,49-50H,1H2/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-.
What are the key properties of 5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin?
5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin has a molecular weight of 640.79 g/mol, XLogP of 11.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,20-triphenyl-15-(1-phenylethenyl)-21,22-dihydroporphyrin is sourced from PubChem (CID 11585655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).