1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one

C48H35N5O — CID 10974504

IUPAC1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc2C=C4)C=C3)cc1
InChIInChI=1S/C48H35N5O/c54-44-17-10-30-53(44)35-20-18-34(19-21-35)48-42-28-26-40(51-42)46(32-13-6-2-7-14-32)38-24-22-36(49-38)45(31-11-4-1-5-12-31)37-23-25-39(50-37)47(33-15-8-3-9-16-33)41-27-29-43(48)52-41/h1-9,11-16,18-29,49-50H,10,17,30H2/b45-36-,45-37-,46-38-,46-40-,47-39-,47-41-,48-42-,48-43-
InChIKeyUJURFQXWZHDTQO-BRNXAVTDSA-N
MW697.84 g/mol
LogP11.45
Rot. Bonds5

About 1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one

1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one (PubChem CID 10974504) has the molecular formula C48H35N5O and a molecular weight of 697.84 g/mol. Its IUPAC name is 1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one
PubChem CID10974504
Molecular FormulaC48H35N5O
Molecular Weight697.84 g/mol
Exact Mass697.28
IUPAC Name1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc2C=C4)C=C3)cc1
InChIInChI=1S/C48H35N5O/c54-44-17-10-30-53(44)35-20-18-34(19-21-35)48-42-28-26-40(51-42)46(32-13-6-2-7-14-32)38-24-22-36(49-38)45(31-11-4-1-5-12-31)37-23-25-39(50-37)47(33-15-8-3-9-16-33)41-27-29-43(48)52-41/h1-9,11-16,18-29,49-50H,10,17,30H2/b45-36-,45-37-,46-38-,46-40-,47-39-,47-41-,48-42-,48-43-
InChIKeyUJURFQXWZHDTQO-BRNXAVTDSA-N
XLogP11.45
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.84
LogP ≤ 511.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
CID 135870605
1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 17398125
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
5-[4-[8,12,16,20,24-pentakis[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2λ2,6λ2,10λ2,14λ2,18λ2,22λ2-hexastannacyclotetracos-4-yl]phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 139263220
2-(4-chlorophenyl)-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazolidin-4-one
CID 137178215
(2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol
CID 136715659
10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278
4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzenediazonium
CID 135453728
15-[4-(2-bromoethyl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin
CID 11593008

Frequently Asked Questions

What is the IUPAC name of 1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one (CID 10974504) is 1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc2C=C4)C=C3)cc1.
What is the InChIKey of 1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one?
The InChIKey is UJURFQXWZHDTQO-BRNXAVTDSA-N. The full InChI is InChI=1S/C48H35N5O/c54-44-17-10-30-53(44)35-20-18-34(19-21-35)48-42-28-26-40(51-42)46(32-13-6-2-7-14-32)38-24-22-36(49-38)45(31-11-4-1-5-12-31)37-23-25-39(50-37)47(33-15-8-3-9-16-33)41-27-29-43(48)52-41/h1-9,11-16,18-29,49-50H,10,17,30H2/b45-36-,45-37-,46-38-,46-40-,47-39-,47-41-,48-42-,48-43-.
What are the key properties of 1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one?
1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one has a molecular weight of 697.84 g/mol, XLogP of 11.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 10974504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).