5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin

C47H35N5 — CID 135467968

IUPAC5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin
SMILESC=Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C47H35N5/c1-4-31-9-15-34(16-10-31)46-40-19-17-36(49-40)44(32-11-5-29(2)6-12-32)38-21-23-42(51-38)47(35-25-27-48-28-26-35)43-24-22-39(52-43)45(37-18-20-41(46)50-37)33-13-7-30(3)8-14-33/h4-28,49,52H,1H2,2-3H3/b44-36-,44-38-,45-37-,45-39-,46-40-,46-41-,47-42-,47-43-
InChIKeyJLCUURVOGHQDDZ-ZSNRFELISA-N
MW669.83 g/mol
LogP11.98
Rot. Bonds5

About 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin

5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin (PubChem CID 135467968) has the molecular formula C47H35N5 and a molecular weight of 669.83 g/mol. Its IUPAC name is 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin
PubChem CID135467968
Molecular FormulaC47H35N5
Molecular Weight669.83 g/mol
Exact Mass669.29
IUPAC Name5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin
SMILESC=Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C47H35N5/c1-4-31-9-15-34(16-10-31)46-40-19-17-36(49-40)44(32-11-5-29(2)6-12-32)38-21-23-42(51-38)47(35-25-27-48-28-26-35)43-24-22-39(52-43)45(37-18-20-41(46)50-37)33-13-7-30(3)8-14-33/h4-28,49,52H,1H2,2-3H3/b44-36-,44-38-,45-37-,45-39-,46-40-,46-41-,47-42-,47-43-
InChIKeyJLCUURVOGHQDDZ-ZSNRFELISA-N
XLogP11.98
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.83
LogP ≤ 511.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
CID 138402828
5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-(1H-pyrrol-2-yl)-21,22-dihydroporphyrin
CID 11527545
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
(dimethyl-λ4-sulfanylidene)oxidanium;platinum(2+);5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135454674
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
dichloroplatinum;methylsulfinylmethane;5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin
CID 15793969
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
1-(4-methylphenyl)-N-[4-[10,15,20-tris[4-[(4-methylphenyl)methylideneamino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanimine
CID 174359853
5,15-bis(4-ethynylphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin
CID 137274122
acetic acid;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin
CID 135956863
5-[4-[(E)-hex-1-enyl]phenyl]-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin
CID 135428166
5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 135590703

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin?
The IUPAC name of 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin (CID 135467968) is 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin.
What is the SMILES notation for 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin?
The canonical SMILES for 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin is C=Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccncc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin?
The InChIKey is JLCUURVOGHQDDZ-ZSNRFELISA-N. The full InChI is InChI=1S/C47H35N5/c1-4-31-9-15-34(16-10-31)46-40-19-17-36(49-40)44(32-11-5-29(2)6-12-32)38-21-23-42(51-38)47(35-25-27-48-28-26-35)43-24-22-39(52-43)45(37-18-20-41(46)50-37)33-13-7-30(3)8-14-33/h4-28,49,52H,1H2,2-3H3/b44-36-,44-38-,45-37-,45-39-,46-40-,46-41-,47-42-,47-43-.
What are the key properties of 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin?
5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin has a molecular weight of 669.83 g/mol, XLogP of 11.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin is sourced from PubChem (CID 135467968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).