5,10,15,20-tetrakis(furan-2-yl)-21,23-dihydroporphyrin

C36H22N4O4 — CID 135485691

IUPAC5,10,15,20-tetrakis(furan-2-yl)-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccco1)c1ccc([nH]1)c(-c1ccco1)c1nc(c(-c3ccco3)c3ccc([nH]3)c2-c2ccco2)C=C1
InChIInChI=1S/C36H22N4O4/c1-5-29(41-17-1)33-21-9-11-23(37-21)34(30-6-2-18-42-30)25-13-15-27(39-25)36(32-8-4-20-44-32)28-16-14-26(40-28)35(31-7-3-19-43-31)24-12-10-22(33)38-24/h1-20,37,40H/b33-21+,33-22+,34-23+,34-25+,35-24+,35-26+,36-27+,36-28+
InChIKeyWWHTWCUXOHAWBD-DVBRDLRJSA-N
MW574.60 g/mol
LogP9.70
Rot. Bonds4

About 5,10,15,20-tetrakis(furan-2-yl)-21,23-dihydroporphyrin

5,10,15,20-tetrakis(furan-2-yl)-21,23-dihydroporphyrin (PubChem CID 135485691) has the molecular formula C36H22N4O4 and a molecular weight of 574.60 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(furan-2-yl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(furan-2-yl)-21,23-dihydroporphyrin
PubChem CID135485691
Molecular FormulaC36H22N4O4
Molecular Weight574.60 g/mol
Exact Mass574.16
IUPAC Name5,10,15,20-tetrakis(furan-2-yl)-21,23-dihydroporphyrin
SMILESC1=Cc2nc1c(-c1ccco1)c1ccc([nH]1)c(-c1ccco1)c1nc(c(-c3ccco3)c3ccc([nH]3)c2-c2ccco2)C=C1
InChIInChI=1S/C36H22N4O4/c1-5-29(41-17-1)33-21-9-11-23(37-21)34(30-6-2-18-42-30)25-13-15-27(39-25)36(32-8-4-20-44-32)28-16-14-26(40-28)35(31-7-3-19-43-31)24-12-10-22(33)38-24/h1-20,37,40H/b33-21+,33-22+,34-23+,34-25+,35-24+,35-26+,36-27+,36-28+
InChIKeyWWHTWCUXOHAWBD-DVBRDLRJSA-N
XLogP9.70
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.60
LogP ≤ 59.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

21-Oxaporphyrin
CID 68629582
21-Oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene
CID 23245436
Tetracarbethoxyporphyrin
CID 9852707
5,10,15,20-Tetrakis(furan-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 54453105
Furylporphyrin
CID 70562368
6,6,11,11,20,20,25,25-Octamethyl-30,33-dioxa-29,31,32,34-tetrazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(28),2,4,7,9,12,14,16,18,21,23,26-dodecaene
CID 5243368
5,10,15,20-Tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin-2-carbaldehyde
CID 10033368
5,10,15,20-Tetrakis(furan-2-yl)-21,22-dihydroporphyrin
CID 10348099
2,2,7,7,12,12,17,17-Octamethyl-21,23-dioxa-22,24-diazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene
CID 12967127
2,2,7,7,12,12,17,17,22,22,27,27-Dodecamethyl-31,33,35-trioxa-32,34,36-triazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(30),3,5,8,10,13,15,18,20,23,25,28-dodecaene
CID 12967129
5,10,15,20-Tetraphenyl-21-oxaporphyrin
CID 15344563
methyl 3-[(2S,3S)-8-ethenyl-13-ethyl-18-(furan-2-ylmethylcarbamoyl)-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoate
CID 122225095

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(furan-2-yl)-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(furan-2-yl)-21,23-dihydroporphyrin (CID 135485691) is 5,10,15,20-tetrakis(furan-2-yl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(furan-2-yl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(furan-2-yl)-21,23-dihydroporphyrin is C1=Cc2nc1c(-c1ccco1)c1ccc([nH]1)c(-c1ccco1)c1nc(c(-c3ccco3)c3ccc([nH]3)c2-c2ccco2)C=C1.
What is the InChIKey of 5,10,15,20-tetrakis(furan-2-yl)-21,23-dihydroporphyrin?
The InChIKey is WWHTWCUXOHAWBD-DVBRDLRJSA-N. The full InChI is InChI=1S/C36H22N4O4/c1-5-29(41-17-1)33-21-9-11-23(37-21)34(30-6-2-18-42-30)25-13-15-27(39-25)36(32-8-4-20-44-32)28-16-14-26(40-28)35(31-7-3-19-43-31)24-12-10-22(33)38-24/h1-20,37,40H/b33-21+,33-22+,34-23+,34-25+,35-24+,35-26+,36-27+,36-28+.
What are the key properties of 5,10,15,20-tetrakis(furan-2-yl)-21,23-dihydroporphyrin?
5,10,15,20-tetrakis(furan-2-yl)-21,23-dihydroporphyrin has a molecular weight of 574.60 g/mol, XLogP of 9.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(furan-2-yl)-21,23-dihydroporphyrin is sourced from PubChem (CID 135485691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).