(9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin

C36H48N4 — CID 162179968

IUPAC(9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin
SMILESCCc1c2[nH]c(c1CC)C=c1[nH]/c(c(CC)c1CC)=C\c1[nH]c(c(CC)c1CC)/C=c1\[nH]c(c(CC)c1CC)=C2
InChIInChI=1S/C36H48N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-20,37-40H,9-16H2,1-8H3/b29-17-,30-18-,31-17-,32-18-,33-19?,34-20?,35-19?,36-20?
InChIKeyYDMHBFJFHISTSS-OYEGGPACSA-N
MW536.81 g/mol
LogP5.13
Rot. Bonds8

About (9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin

(9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin (PubChem CID 162179968) has the molecular formula C36H48N4 and a molecular weight of 536.81 g/mol. Its IUPAC name is (9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name(9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin
PubChem CID162179968
Molecular FormulaC36H48N4
Molecular Weight536.81 g/mol
Exact Mass536.39
IUPAC Name(9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin
SMILESCCc1c2[nH]c(c1CC)C=c1[nH]/c(c(CC)c1CC)=C\c1[nH]c(c(CC)c1CC)/C=c1\[nH]c(c(CC)c1CC)=C2
InChIInChI=1S/C36H48N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-20,37-40H,9-16H2,1-8H3/b29-17-,30-18-,31-17-,32-18-,33-19?,34-20?,35-19?,36-20?
InChIKeyYDMHBFJFHISTSS-OYEGGPACSA-N
XLogP5.13
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.81
LogP ≤ 55.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

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
2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin
CID 54269707
(1Z,4Z,10Z,14Z)-2,3,7,8,12,13,17,18-octaethyl-22,24-dimethyl-21,23-dihydroporphyrin
CID 101323705
18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-carboxylic acid
CID 54426326
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
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
ethane;2,3,7,8,12,13,17,18-octamethyl-21,22,23,24-tetrahydroporphyrin
CID 91349196
(10Z,15Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-22-phenyl-21,24-dihydro-5H-porphyrin
CID 177476952
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

Frequently Asked Questions

What is the IUPAC name of (9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of (9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin (CID 162179968) is (9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for (9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for (9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin is CCc1c2[nH]c(c1CC)C=c1[nH]/c(c(CC)c1CC)=C\c1[nH]c(c(CC)c1CC)/C=c1\[nH]c(c(CC)c1CC)=C2.
What is the InChIKey of (9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is YDMHBFJFHISTSS-OYEGGPACSA-N. The full InChI is InChI=1S/C36H48N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-20,37-40H,9-16H2,1-8H3/b29-17-,30-18-,31-17-,32-18-,33-19?,34-20?,35-19?,36-20?.
What are the key properties of (9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin?
(9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 536.81 g/mol, XLogP of 5.13, 8 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 162179968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).