(1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin

C38H52N4 — CID 101323705

IUPAC(1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin
SMILESCCc1c(CC)c2n(C)c1/C=c1\[nH]/c(c(CC)c1CC)=C\c1c(CC)c(CC)c(n1C)/C=c1\[nH]/c(c(CC)c1CC)=C\2
InChIInChI=1S/C38H52N4/c1-11-23-24(12-2)32-20-36-29(17-7)30(18-8)38(42(36)10)22-34-26(14-4)25(13-3)33(40-34)21-37-28(16-6)27(15-5)35(41(37)9)19-31(23)39-32/h19-22,39-40H,11-18H2,1-10H3/b31-19-,32-20-,33-21-,34-22-,35-19-,36-20-,37-21-,38-22-
InChIKeyAKWGUVYBTBCEOP-DRTHJTEJSA-N
MW564.86 g/mol
LogP5.15
Rot. Bonds8

About (1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin

(1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin (PubChem CID 101323705) has the molecular formula C38H52N4 and a molecular weight of 564.86 g/mol. Its IUPAC name is (1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name(1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin
PubChem CID101323705
Molecular FormulaC38H52N4
Molecular Weight564.86 g/mol
Exact Mass564.42
IUPAC Name(1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin
SMILESCCc1c(CC)c2n(C)c1/C=c1\[nH]/c(c(CC)c1CC)=C\c1c(CC)c(CC)c(n1C)/C=c1\[nH]/c(c(CC)c1CC)=C\2
InChIInChI=1S/C38H52N4/c1-11-23-24(12-2)32-20-36-29(17-7)30(18-8)38(42(36)10)22-34-26(14-4)25(13-3)33(40-34)21-37-28(16-6)27(15-5)35(41(37)9)19-31(23)39-32/h19-22,39-40H,11-18H2,1-10H3/b31-19-,32-20-,33-21-,34-22-,35-19-,36-20-,37-21-,38-22-
InChIKeyAKWGUVYBTBCEOP-DRTHJTEJSA-N
XLogP5.15
TPSA41.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.86
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin with MolForge

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Related Compounds

(9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin
CID 162179968
4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetrazaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene
CID 126540096
17-bromo-2,3,7,8,12,13-hexaethyl-21,22,23,24-tetrahydroporphyrin
CID 91390308
2,3,7,8,12,13,17,18-octapropyl-21,22,23,24-tetrahydroporphyrin
CID 123622064
2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin
CID 123821815
4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene
CID 134286118
3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17,22-pentamethyl-23,24-dihydro-21H-porphyrin-2-yl]propanoic acid
CID 54361438
2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin
CID 54269707
3-ethyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]-6H-cyclohepta[b]pyrrole
CID 166823071
(10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin
CID 177476952
1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione
CID 66330500
2,7,8,12,13,17,18-heptaethyl-3-methyl-1,23-dihydroporphyrin
CID 161120870

Frequently Asked Questions

What is the IUPAC name of (1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin?
The IUPAC name of (1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin (CID 101323705) is (1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin.
What is the SMILES notation for (1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin?
The canonical SMILES for (1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin is CCc1c(CC)c2n(C)c1/C=c1\[nH]/c(c(CC)c1CC)=C\c1c(CC)c(CC)c(n1C)/C=c1\[nH]/c(c(CC)c1CC)=C\2.
What is the InChIKey of (1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin?
The InChIKey is AKWGUVYBTBCEOP-DRTHJTEJSA-N. The full InChI is InChI=1S/C38H52N4/c1-11-23-24(12-2)32-20-36-29(17-7)30(18-8)38(42(36)10)22-34-26(14-4)25(13-3)33(40-34)21-37-28(16-6)27(15-5)35(41(37)9)19-31(23)39-32/h19-22,39-40H,11-18H2,1-10H3/b31-19-,32-20-,33-21-,34-22-,35-19-,36-20-,37-21-,38-22-.
What are the key properties of (1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin?
(1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin has a molecular weight of 564.86 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin is sourced from PubChem (CID 101323705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).