(10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin

C42H52N4 — CID 177476952

IUPAC(10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin
SMILESCCC1=C(CC)/C2=C/c3c(CC)c(CC)c(n3-c3ccccc3)Cc3[nH]c(c(CC)c3CC)/C=c3\[nH]/c(c(CC)c3CC)=C\C1=N2
InChIInChI=1S/C42H52N4/c1-9-27-28(10-2)36-23-38-30(12-4)32(14-6)40(45-38)25-42-34(16-8)33(15-7)41(46(42)26-20-18-17-19-21-26)24-39-31(13-5)29(11-3)37(44-39)22-35(27)43-36/h17-24,43,45H,9-16,25H2,1-8H3/b35-22-,36-23-,39-24-
InChIKeyHCUJJNOWDLJUDR-OCROVDCQSA-N
MW612.91 g/mol
LogP8.63
Rot. Bonds9

About (10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin

(10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin (PubChem CID 177476952) has the molecular formula C42H52N4 and a molecular weight of 612.91 g/mol. Its IUPAC name is (10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin.

Molecular Properties

Compound Name(10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin
PubChem CID177476952
Molecular FormulaC42H52N4
Molecular Weight612.91 g/mol
Exact Mass612.42
IUPAC Name(10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin
SMILESCCC1=C(CC)/C2=C/c3c(CC)c(CC)c(n3-c3ccccc3)Cc3[nH]c(c(CC)c3CC)/C=c3\[nH]/c(c(CC)c3CC)=C\C1=N2
InChIInChI=1S/C42H52N4/c1-9-27-28(10-2)36-23-38-30(12-4)32(14-6)40(45-38)25-42-34(16-8)33(15-7)41(46(42)26-20-18-17-19-21-26)24-39-31(13-5)29(11-3)37(44-39)22-35(27)43-36/h17-24,43,45H,9-16,25H2,1-8H3/b35-22-,36-23-,39-24-
InChIKeyHCUJJNOWDLJUDR-OCROVDCQSA-N
XLogP8.63
TPSA48.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.91
LogP ≤ 58.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin with MolForge

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Related Compounds

2,3,7,8,12,13,17,18-octaethyl-21,22-diphenyl-20,23,25-triaza-26-azoniahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18,21-dodecaene perchlorate
CID 11104793
2,7,8,12,13,17,18-heptaethyl-3-methyl-1,23-dihydroporphyrin
CID 161120870
2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin
CID 123821815
3-(2,3,7,8,12,13,17,18-octaethyl-23H-porphyrin-5-ylidene)prop-1-en-1-ol
CID 135539177
(1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin
CID 101323705
(Z)-(10,14,15,19-tetraethyl-9,20-dimethyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-4-ylidene)methanol
CID 135746139
2,3,7,8,12,13,17,18-octaethyl-23-phenyl-21H-porphyrin
CID 86027740
17-bromo-2,3,7,8,12,13-hexaethyl-21,22,23,24-tetrahydroporphyrin
CID 91390308
25,25-diethoxy-5,14-diethyl-4,15-dimethyl-9,10-diphenyl-26,27,28-triazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11(27),12,14,16(26),17,19,21,23-tridecaene
CID 135427375
platinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin
CID 143829005
N-methyl-1-(2,3,7,8,12,13,17,18-octaethyl-3,24-dihydro-2H-porphyrin-5-ylidene)methanamine
CID 636120
2,3,7,8,12,13,17,18-octapropyl-21,22,23,24-tetrahydroporphyrin
CID 123622064

Frequently Asked Questions

What is the IUPAC name of (10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin?
The IUPAC name of (10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin (CID 177476952) is (10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin.
What is the SMILES notation for (10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin?
The canonical SMILES for (10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin is CCC1=C(CC)/C2=C/c3c(CC)c(CC)c(n3-c3ccccc3)Cc3[nH]c(c(CC)c3CC)/C=c3\[nH]/c(c(CC)c3CC)=C\C1=N2.
What is the InChIKey of (10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin?
The InChIKey is HCUJJNOWDLJUDR-OCROVDCQSA-N. The full InChI is InChI=1S/C42H52N4/c1-9-27-28(10-2)36-23-38-30(12-4)32(14-6)40(45-38)25-42-34(16-8)33(15-7)41(46(42)26-20-18-17-19-21-26)24-39-31(13-5)29(11-3)37(44-39)22-35(27)43-36/h17-24,43,45H,9-16,25H2,1-8H3/b35-22-,36-23-,39-24-.
What are the key properties of (10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin?
(10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin has a molecular weight of 612.91 g/mol, XLogP of 8.63, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin is sourced from PubChem (CID 177476952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).