7,8,17,18-tetraethyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin

C52H48N4 — CID 136732213

IUPAC7,8,17,18-tetraethyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin
SMILESCCc1c(CC)c2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3[nH]c(c(CC)c3CC)c(-c3ccccc3)c3nc(c2-c2ccccc2)CC3)C=C1
InChIInChI=1S/C52H48N4/c1-5-37-38(6-2)50-46(34-23-15-10-16-24-34)42-31-32-44(54-42)48(36-27-19-12-20-28-36)52-40(8-4)39(7-3)51(56-52)47(35-25-17-11-18-26-35)43-30-29-41(53-43)45(49(37)55-50)33-21-13-9-14-22-33/h9-30,55-56H,5-8,31-32H2,1-4H3/b45-41-,46-42-,47-43-,48-44-,49-45-,50-46-,51-47-,52-48-
InChIKeyUDZFCTDBIPYXFW-VIJQYTMKSA-N
MW728.98 g/mol
LogP13.19
Rot. Bonds8

About 7,8,17,18-tetraethyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin

7,8,17,18-tetraethyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin (PubChem CID 136732213) has the molecular formula C52H48N4 and a molecular weight of 728.98 g/mol. Its IUPAC name is 7,8,17,18-tetraethyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin.

Molecular Properties

Compound Name7,8,17,18-tetraethyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin
PubChem CID136732213
Molecular FormulaC52H48N4
Molecular Weight728.98 g/mol
Exact Mass728.39
IUPAC Name7,8,17,18-tetraethyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin
SMILESCCc1c(CC)c2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3[nH]c(c(CC)c3CC)c(-c3ccccc3)c3nc(c2-c2ccccc2)CC3)C=C1
InChIInChI=1S/C52H48N4/c1-5-37-38(6-2)50-46(34-23-15-10-16-24-34)42-31-32-44(54-42)48(36-27-19-12-20-28-36)52-40(8-4)39(7-3)51(56-52)47(35-25-17-11-18-26-35)43-30-29-41(53-43)45(49(37)55-50)33-21-13-9-14-22-33/h9-30,55-56H,5-8,31-32H2,1-4H3/b45-41-,46-42-,47-43-,48-44-,49-45-,50-46-,51-47-,52-48-
InChIKeyUDZFCTDBIPYXFW-VIJQYTMKSA-N
XLogP13.19
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.98
LogP ≤ 513.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9,10,14,15,24,25,29,30-octaethyl-2,7,12,17,22,27,33,36-octakis-phenyl-4,5,19,20,31,32,34,35-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1,3,6(36),7,9,11(35),12,14,16,18,21(33),22,24,26(32),27,29-hexadecaene
CID 134944051
2,3,5,7,8,10,12,13,15,20-decakis-phenyl-21,23-dihydroporphyrin
CID 101343804
15,20-dichloro-2-methyl-3,5,10-triphenyl-21,23-dihydroporphyrin
CID 175511184
2,3,12,13-tetraphenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 101014025
15-butyl-2,3,7,8,12,13,17,18-octaethyl-5,10,20-triphenyl-21,22-dihydroporphyrin
CID 10795735
2-chloro-3-fluoro-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 141491360
5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
CID 135870605
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
5,10,15-triphenyl-20-[6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenanthren-3-yl]-21,23-dihydroporphyrin
CID 101030343
1,2-diethyl-3,4,5,6-tetraphenylbenzene
CID 58012801
2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 10031928
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844

Frequently Asked Questions

What is the IUPAC name of 7,8,17,18-tetraethyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin?
The IUPAC name of 7,8,17,18-tetraethyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin (CID 136732213) is 7,8,17,18-tetraethyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin.
What is the SMILES notation for 7,8,17,18-tetraethyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin?
The canonical SMILES for 7,8,17,18-tetraethyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin is CCc1c(CC)c2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3[nH]c(c(CC)c3CC)c(-c3ccccc3)c3nc(c2-c2ccccc2)CC3)C=C1.
What is the InChIKey of 7,8,17,18-tetraethyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin?
The InChIKey is UDZFCTDBIPYXFW-VIJQYTMKSA-N. The full InChI is InChI=1S/C52H48N4/c1-5-37-38(6-2)50-46(34-23-15-10-16-24-34)42-31-32-44(54-42)48(36-27-19-12-20-28-36)52-40(8-4)39(7-3)51(56-52)47(35-25-17-11-18-26-35)43-30-29-41(53-43)45(49(37)55-50)33-21-13-9-14-22-33/h9-30,55-56H,5-8,31-32H2,1-4H3/b45-41-,46-42-,47-43-,48-44-,49-45-,50-46-,51-47-,52-48-.
What are the key properties of 7,8,17,18-tetraethyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin?
7,8,17,18-tetraethyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin has a molecular weight of 728.98 g/mol, XLogP of 13.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,17,18-tetraethyl-5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin is sourced from PubChem (CID 136732213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).