2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin

C34H44N4 — CID 54269707

IUPAC2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin
SMILESCCCc1c2[nH]c(c1C)C=c1[nH]c(c(C)c1CC)=Cc1[nH]c(c(C)c1CC)C=c1[nH]c(c(CCC)c1C)=C2
InChIInChI=1S/C34H44N4/c1-9-13-25-21(7)28-15-27-19(5)23(11-3)31(35-27)16-29-20(6)24(12-4)32(36-29)17-30-22(8)26(14-10-2)34(38-30)18-33(25)37-28/h15-18,35-38H,9-14H2,1-8H3
InChIKeyURVRSGKBHUABSC-UHFFFAOYSA-N
MW508.75 g/mol
LogP4.89
Rot. Bonds6

About 2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin

2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin (PubChem CID 54269707) has the molecular formula C34H44N4 and a molecular weight of 508.75 g/mol. Its IUPAC name is 2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin
PubChem CID54269707
Molecular FormulaC34H44N4
Molecular Weight508.75 g/mol
Exact Mass508.36
IUPAC Name2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin
SMILESCCCc1c2[nH]c(c1C)C=c1[nH]c(c(C)c1CC)=Cc1[nH]c(c(C)c1CC)C=c1[nH]c(c(CCC)c1C)=C2
InChIInChI=1S/C34H44N4/c1-9-13-25-21(7)28-15-27-19(5)23(11-3)31(35-27)16-29-20(6)24(12-4)32(36-29)17-30-22(8)26(14-10-2)34(38-30)18-33(25)37-28/h15-18,35-38H,9-14H2,1-8H3
InChIKeyURVRSGKBHUABSC-UHFFFAOYSA-N
XLogP4.89
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.75
LogP ≤ 54.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

N'-[3-[8,13-diethyl-18-[3-[ethyl-[4-(ethylamino)butyl]amino]propyl]-3,7,12,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propyl]-N,N'-diethylbutane-1,4-diamine
CID 91005763
N-benzyl-3-[18-[3-(benzylamino)propyl]-8,13-diethyl-3,7,12,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propan-1-amine
CID 54451792
18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-carboxylic acid
CID 54426326
2,3,7,8,12,13,17,18-octapropyl-21,22,23,24-tetrahydroporphyrin
CID 123622064
4-[7-ethenyl-3,8,13,17-tetramethyl-18-(3-oxobutyl)-12-propyl-21,22,23,24-tetrahydroporphyrin-2-yl]butan-2-one
CID 91552377
(9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin
CID 162179968
methyl 3-[7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-propyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoate
CID 123182289
2,18-bis(3-bromopropyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-21,22,23,24-tetrahydroporphyrin
CID 54105715
methyl 3-[8,13-diethyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-12,13,21,22,23,24-hexahydroporphyrin-2-yl]propanoate
CID 91313904
ethane;2,3,7,8,12,13,17,18-octamethyl-21,22,23,24-tetrahydroporphyrin
CID 91349196
3-[(1Z,3'R,4Z,7S,10Z,14Z)-18-(2-carboxyethyl)-12-ethyl-3,3',8,13,17-pentamethylspiro[21,22,23,24-tetrahydro-6H-porphyrin-7,2'-oxirane]-2-yl]propanoic acid
CID 138105819
3-[10-[(2S)-2-amino-3-hydroxypropanoyl]-18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid
CID 54158134

Frequently Asked Questions

What is the IUPAC name of 2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin (CID 54269707) is 2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin is CCCc1c2[nH]c(c1C)C=c1[nH]c(c(C)c1CC)=Cc1[nH]c(c(C)c1CC)C=c1[nH]c(c(CCC)c1C)=C2.
What is the InChIKey of 2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is URVRSGKBHUABSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N4/c1-9-13-25-21(7)28-15-27-19(5)23(11-3)31(35-27)16-29-20(6)24(12-4)32(36-29)17-30-22(8)26(14-10-2)34(38-30)18-33(25)37-28/h15-18,35-38H,9-14H2,1-8H3.
What are the key properties of 2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin?
2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 508.75 g/mol, XLogP of 4.89, 6 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 54269707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).