5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin

C68H80N4 — CID 154069250

IUPAC5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCCc1ccc(C2=c3ccc([nH]3)=C(c3ccc(CC)c(CC)c3CC)c3ccc([nH]3)C(c3ccc(CC)c(CC)c3CC)=c3ccc([nH]3)=C(c3ccc(CC)c(CC)c3CC)c3ccc2[nH]3)c(CC)c1CC
InChIInChI=1S/C68H80N4/c1-13-41-25-29-53(49(21-9)45(41)17-5)65-57-33-35-59(69-57)66(54-30-26-42(14-2)46(18-6)50(54)22-10)61-37-39-63(71-61)68(56-32-28-44(16-4)48(20-8)52(56)24-12)64-40-38-62(72-64)67(60-36-34-58(65)70-60)55-31-27-43(15-3)47(19-7)51(55)23-11/h25-40,69-72H,13-24H2,1-12H3
InChIKeyFKBQHGUFDBJMIH-UHFFFAOYSA-N
MW953.42 g/mol
LogP13.05
Rot. Bonds16

About 5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 154069250) has the molecular formula C68H80N4 and a molecular weight of 953.42 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID154069250
Molecular FormulaC68H80N4
Molecular Weight953.42 g/mol
Exact Mass952.64
IUPAC Name5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCCc1ccc(C2=c3ccc([nH]3)=C(c3ccc(CC)c(CC)c3CC)c3ccc([nH]3)C(c3ccc(CC)c(CC)c3CC)=c3ccc([nH]3)=C(c3ccc(CC)c(CC)c3CC)c3ccc2[nH]3)c(CC)c1CC
InChIInChI=1S/C68H80N4/c1-13-41-25-29-53(49(21-9)45(41)17-5)65-57-33-35-59(69-57)66(54-30-26-42(14-2)46(18-6)50(54)22-10)61-37-39-63(71-61)68(56-32-28-44(16-4)48(20-8)52(56)24-12)64-40-38-62(72-64)67(60-36-34-58(65)70-60)55-31-27-43(15-3)47(19-7)51(55)23-11/h25-40,69-72H,13-24H2,1-12H3
InChIKeyFKBQHGUFDBJMIH-UHFFFAOYSA-N
XLogP13.05
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.42
LogP ≤ 513.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Analyze 5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin with MolForge

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Related Compounds

2-(2,3,4-triethylphenyl)benzene-1,4-diol
CID 101302922
4-(2,3,4-triethylphenyl)phenol
CID 101302516
3-(2,3,4-triethylphenyl)benzene-1,2,4-triol
CID 101303394
5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin
CID 91023938
ethoxyethane;1,2,3-triethyl-4-phenylbenzene
CID 66697424
1,2-diethyl-3,4-dimethylbenzene
CID 590292
iron(3+);5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin;trichloride
CID 159454747
2-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22,23,24-tetrahydroporphyrin-5-yl]pyridin-1-ium-1-yl]acetic acid
CID 56639458
5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
CID 91460206
(5Z,9Z,15Z,19Z)-2,3,12,13-tetraethyl-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin
CID 101041743
4,5-diethyl-2-prop-1-en-2-yl-1H-indole
CID 166890019
4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303229

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin (CID 154069250) is 5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin is CCc1ccc(C2=c3ccc([nH]3)=C(c3ccc(CC)c(CC)c3CC)c3ccc([nH]3)C(c3ccc(CC)c(CC)c3CC)=c3ccc([nH]3)=C(c3ccc(CC)c(CC)c3CC)c3ccc2[nH]3)c(CC)c1CC.
What is the InChIKey of 5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is FKBQHGUFDBJMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H80N4/c1-13-41-25-29-53(49(21-9)45(41)17-5)65-57-33-35-59(69-57)66(54-30-26-42(14-2)46(18-6)50(54)22-10)61-37-39-63(71-61)68(56-32-28-44(16-4)48(20-8)52(56)24-12)64-40-38-62(72-64)67(60-36-34-58(65)70-60)55-31-27-43(15-3)47(19-7)51(55)23-11/h25-40,69-72H,13-24H2,1-12H3.
What are the key properties of 5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 953.42 g/mol, XLogP of 13.05, 16 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 154069250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).