5,10,15,20-tetraphenyl-2-[(E)-2-thiophen-3-ylethenyl]-21,23-dihydroporphyrin

C50H34N4S — CID 135458064

IUPAC5,10,15,20-tetraphenyl-2-[(E)-2-thiophen-3-ylethenyl]-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3[nH]c(cc3/C=C/c3ccsc3)c2-c2ccccc2)C=C1
InChIInChI=1S/C50H34N4S/c1-5-13-34(14-6-1)46-39-23-24-40(51-39)47(35-15-7-2-8-16-35)42-27-28-44(53-42)49(37-19-11-4-12-20-37)50-38(22-21-33-29-30-55-32-33)31-45(54-50)48(36-17-9-3-10-18-36)43-26-25-41(46)52-43/h1-32,51,54H/b22-21+,46-39-,46-41-,47-40-,47-42-,48-43-,48-45-,49-44-,50-49-
InChIKeyIDRMICLGYUOIIF-BPMSDLFHSA-N
MW722.92 g/mol
LogP13.56
Rot. Bonds6

About 5,10,15,20-tetraphenyl-2-[(E)-2-thiophen-3-ylethenyl]-21,23-dihydroporphyrin

5,10,15,20-tetraphenyl-2-[(E)-2-thiophen-3-ylethenyl]-21,23-dihydroporphyrin (PubChem CID 135458064) has the molecular formula C50H34N4S and a molecular weight of 722.92 g/mol. Its IUPAC name is 5,10,15,20-tetraphenyl-2-[(E)-2-thiophen-3-ylethenyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetraphenyl-2-[(E)-2-thiophen-3-ylethenyl]-21,23-dihydroporphyrin
PubChem CID135458064
Molecular FormulaC50H34N4S
Molecular Weight722.92 g/mol
Exact Mass722.25
IUPAC Name5,10,15,20-tetraphenyl-2-[(E)-2-thiophen-3-ylethenyl]-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3[nH]c(cc3/C=C/c3ccsc3)c2-c2ccccc2)C=C1
InChIInChI=1S/C50H34N4S/c1-5-13-34(14-6-1)46-39-23-24-40(51-39)47(35-15-7-2-8-16-35)42-27-28-44(53-42)49(37-19-11-4-12-20-37)50-38(22-21-33-29-30-55-32-33)31-45(54-50)48(36-17-9-3-10-18-36)43-26-25-41(46)52-43/h1-32,51,54H/b22-21+,46-39-,46-41-,47-40-,47-42-,48-43-,48-45-,49-44-,50-49-
InChIKeyIDRMICLGYUOIIF-BPMSDLFHSA-N
XLogP13.56
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.92
LogP ≤ 513.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-nitroethenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 137235484
CID 169095894
CID 169095894
2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 10031928
5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-21,23-dihydroporphyrin
CID 146020180
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
5,10,15,20-tetrakis(4-methylphenyl)-21,23-dihydroporphyrin-2-carbaldehyde
CID 136824553
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 154013194
3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol
CID 3979172
5-[(E)-2-iodoethenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 136863679
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetraphenyl-2-[(E)-2-thiophen-3-ylethenyl]-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetraphenyl-2-[(E)-2-thiophen-3-ylethenyl]-21,23-dihydroporphyrin (CID 135458064) is 5,10,15,20-tetraphenyl-2-[(E)-2-thiophen-3-ylethenyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetraphenyl-2-[(E)-2-thiophen-3-ylethenyl]-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetraphenyl-2-[(E)-2-thiophen-3-ylethenyl]-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3[nH]c(cc3/C=C/c3ccsc3)c2-c2ccccc2)C=C1.
What is the InChIKey of 5,10,15,20-tetraphenyl-2-[(E)-2-thiophen-3-ylethenyl]-21,23-dihydroporphyrin?
The InChIKey is IDRMICLGYUOIIF-BPMSDLFHSA-N. The full InChI is InChI=1S/C50H34N4S/c1-5-13-34(14-6-1)46-39-23-24-40(51-39)47(35-15-7-2-8-16-35)42-27-28-44(53-42)49(37-19-11-4-12-20-37)50-38(22-21-33-29-30-55-32-33)31-45(54-50)48(36-17-9-3-10-18-36)43-26-25-41(46)52-43/h1-32,51,54H/b22-21+,46-39-,46-41-,47-40-,47-42-,48-43-,48-45-,49-44-,50-49-.
What are the key properties of 5,10,15,20-tetraphenyl-2-[(E)-2-thiophen-3-ylethenyl]-21,23-dihydroporphyrin?
5,10,15,20-tetraphenyl-2-[(E)-2-thiophen-3-ylethenyl]-21,23-dihydroporphyrin has a molecular weight of 722.92 g/mol, XLogP of 13.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetraphenyl-2-[(E)-2-thiophen-3-ylethenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 135458064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).