5,10-diphenyl-15,20-dithiophen-2-yl-21,22-dihydroporphyrin

C40H26N4S2 — CID 10371773

IUPAC5,10-diphenyl-15,20-dithiophen-2-yl-21,22-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1cccs1)c1nc(c(-c3cccs3)c3ccc([nH]3)c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C40H26N4S2/c1-3-9-25(10-4-1)37-27-15-16-28(41-27)38(26-11-5-2-6-12-26)30-18-20-32(43-30)40(36-14-8-24-46-36)34-22-21-33(44-34)39(35-13-7-23-45-35)31-19-17-29(37)42-31/h1-24,41-42H/b37-27-,37-29-,38-28-,38-30-,39-31+,39-33+,40-32+,40-34+
InChIKeyIJONTNRUHBMWAZ-PSWHUVFFSA-N
MW626.81 g/mol
LogP11.45
Rot. Bonds4

About 5,10-diphenyl-15,20-dithiophen-2-yl-21,22-dihydroporphyrin

5,10-diphenyl-15,20-dithiophen-2-yl-21,22-dihydroporphyrin (PubChem CID 10371773) has the molecular formula C40H26N4S2 and a molecular weight of 626.81 g/mol. Its IUPAC name is 5,10-diphenyl-15,20-dithiophen-2-yl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name5,10-diphenyl-15,20-dithiophen-2-yl-21,22-dihydroporphyrin
PubChem CID10371773
Molecular FormulaC40H26N4S2
Molecular Weight626.81 g/mol
Exact Mass626.16
IUPAC Name5,10-diphenyl-15,20-dithiophen-2-yl-21,22-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1cccs1)c1nc(c(-c3cccs3)c3ccc([nH]3)c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C40H26N4S2/c1-3-9-25(10-4-1)37-27-15-16-28(41-27)38(26-11-5-2-6-12-26)30-18-20-32(43-30)40(36-14-8-24-46-36)34-22-21-33(44-34)39(35-13-7-23-45-35)31-19-17-29(37)42-31/h1-24,41-42H/b37-27-,37-29-,38-28-,38-30-,39-31+,39-33+,40-32+,40-34+
InChIKeyIJONTNRUHBMWAZ-PSWHUVFFSA-N
XLogP11.45
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.81
LogP ≤ 511.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,10-diphenyl-15,20-dithiophen-2-yl-21,22-dihydroporphyrin with MolForge

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Related Compounds

4-(10,15,20-trithiophen-2-yl-21,23-dihydroporphyrin-5-yl)aniline
CID 135847921
4-(10,15,20-trithiophen-2-yl-21,23-dihydroporphyrin-5-yl)benzoic acid
CID 136868448
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
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
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
12-nitro-5,10,15,20-tetraphenyl-2,3-dithiophen-2-yl-21,23-dihydroporphyrin
CID 136710959
7-[(E)-2-(2,5-dithiophen-2-ylthiophen-3-yl)ethenyl]-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 23250040
5,10,15-triphenyl-20-[6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenanthren-3-yl]-21,23-dihydroporphyrin
CID 101030343
(2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol
CID 136715659

Frequently Asked Questions

What is the IUPAC name of 5,10-diphenyl-15,20-dithiophen-2-yl-21,22-dihydroporphyrin?
The IUPAC name of 5,10-diphenyl-15,20-dithiophen-2-yl-21,22-dihydroporphyrin (CID 10371773) is 5,10-diphenyl-15,20-dithiophen-2-yl-21,22-dihydroporphyrin.
What is the SMILES notation for 5,10-diphenyl-15,20-dithiophen-2-yl-21,22-dihydroporphyrin?
The canonical SMILES for 5,10-diphenyl-15,20-dithiophen-2-yl-21,22-dihydroporphyrin is C1=Cc2nc1c(-c1cccs1)c1nc(c(-c3cccs3)c3ccc([nH]3)c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.
What is the InChIKey of 5,10-diphenyl-15,20-dithiophen-2-yl-21,22-dihydroporphyrin?
The InChIKey is IJONTNRUHBMWAZ-PSWHUVFFSA-N. The full InChI is InChI=1S/C40H26N4S2/c1-3-9-25(10-4-1)37-27-15-16-28(41-27)38(26-11-5-2-6-12-26)30-18-20-32(43-30)40(36-14-8-24-46-36)34-22-21-33(44-34)39(35-13-7-23-45-35)31-19-17-29(37)42-31/h1-24,41-42H/b37-27-,37-29-,38-28-,38-30-,39-31+,39-33+,40-32+,40-34+.
What are the key properties of 5,10-diphenyl-15,20-dithiophen-2-yl-21,22-dihydroporphyrin?
5,10-diphenyl-15,20-dithiophen-2-yl-21,22-dihydroporphyrin has a molecular weight of 626.81 g/mol, XLogP of 11.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-diphenyl-15,20-dithiophen-2-yl-21,22-dihydroporphyrin is sourced from PubChem (CID 10371773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).