2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin

C48H56N4 — CID 123821815

IUPAC2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin
SMILESCCc1c2[nH]c(c1CC)C(c1ccccc1)=c1[nH]c(c(CC)c1CC)=C(c1ccccc1)c1[nH]c(c(CC)c1CC)C=c1[nH]c(c(CC)c1CC)=C2
InChIInChI=1S/C48H56N4/c1-9-31-32(10-2)40-28-42-34(12-4)36(14-6)46(51-42)44(30-25-21-18-22-26-30)48-38(16-8)37(15-7)47(52-48)43(29-23-19-17-20-24-29)45-35(13-5)33(11-3)41(50-45)27-39(31)49-40/h17-28,49-52H,9-16H2,1-8H3
InChIKeySOJGATOCTLIVCF-UHFFFAOYSA-N
MW689.00 g/mol
LogP7.96
Rot. Bonds10

About 2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin

2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin (PubChem CID 123821815) has the molecular formula C48H56N4 and a molecular weight of 689.00 g/mol. Its IUPAC name is 2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin
PubChem CID123821815
Molecular FormulaC48H56N4
Molecular Weight689.00 g/mol
Exact Mass688.45
IUPAC Name2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin
SMILESCCc1c2[nH]c(c1CC)C(c1ccccc1)=c1[nH]c(c(CC)c1CC)=C(c1ccccc1)c1[nH]c(c(CC)c1CC)C=c1[nH]c(c(CC)c1CC)=C2
InChIInChI=1S/C48H56N4/c1-9-31-32(10-2)40-28-42-34(12-4)36(14-6)46(51-42)44(30-25-21-18-22-26-30)48-38(16-8)37(15-7)47(52-48)43(29-23-19-17-20-24-29)45-35(13-5)33(11-3)41(50-45)27-39(31)49-40/h17-28,49-52H,9-16H2,1-8H3
InChIKeySOJGATOCTLIVCF-UHFFFAOYSA-N
XLogP7.96
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.00
LogP ≤ 57.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 175542636
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17-bromo-2,3,7,8,12,13-hexaethyl-21,22,23,24-tetrahydroporphyrin
CID 91390308
1,2-diethyl-3,4,5,6-tetraphenylbenzene
CID 58012801
2,3,7,8,12,13,17,18-octapropyl-21,22,23,24-tetrahydroporphyrin
CID 123622064
(10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin
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CID 101323705
(19Z)-5,15-dibutyl-2,3,7,8,12,13,17,18-octaethyl-10,20-diphenyl-5,15,21,22-tetrahydroporphyrin
CID 10653167
4-ethyl-5-methyl-3-phenyl-1H-pyrazole
CID 118348621
N,N,11,20-tetraphenyl-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin (CID 123821815) is 2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin is CCc1c2[nH]c(c1CC)C(c1ccccc1)=c1[nH]c(c(CC)c1CC)=C(c1ccccc1)c1[nH]c(c(CC)c1CC)C=c1[nH]c(c(CC)c1CC)=C2.
What is the InChIKey of 2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is SOJGATOCTLIVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H56N4/c1-9-31-32(10-2)40-28-42-34(12-4)36(14-6)46(51-42)44(30-25-21-18-22-26-30)48-38(16-8)37(15-7)47(52-48)43(29-23-19-17-20-24-29)45-35(13-5)33(11-3)41(50-45)27-39(31)49-40/h17-28,49-52H,9-16H2,1-8H3.
What are the key properties of 2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin?
2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 689.00 g/mol, XLogP of 7.96, 10 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 123821815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).