platinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin

C33H42N4Pt — CID 143829005

IUPACplatinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin
SMILESCCC1=C(C)C2=N/C1=C\c1[nH]c(c(CC)c1C)/C=C1/C(C)=C(CC)C(/C=c3\[nH]/c(c(CC)c3C)=C\2)N1C.[Pt]
InChIInChI=1S/C33H42N4.Pt/c1-10-22-18(5)26-14-30-23(11-2)20(7)28(36-30)16-33-25(13-4)21(8)32(37(33)9)17-31-24(12-3)19(6)27(35-31)15-29(22)34-26;/h14-17,33,35-36H,10-13H2,1-9H3;/b28-16-,29-15-,30-14-,32-17-;
InChIKeyQNZAFIDLLRHRSL-SBHSRHCASA-N
MW689.81 g/mol
LogP6.26
Rot. Bonds4

About platinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin

platinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin (PubChem CID 143829005) has the molecular formula C33H42N4Pt and a molecular weight of 689.81 g/mol. Its IUPAC name is platinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin.

Molecular Properties

Compound Nameplatinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin
PubChem CID143829005
Molecular FormulaC33H42N4Pt
Molecular Weight689.81 g/mol
Exact Mass689.31
IUPAC Nameplatinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin
SMILESCCC1=C(C)C2=N/C1=C\c1[nH]c(c(CC)c1C)/C=C1/C(C)=C(CC)C(/C=c3\[nH]/c(c(CC)c3C)=C\2)N1C.[Pt]
InChIInChI=1S/C33H42N4.Pt/c1-10-22-18(5)26-14-30-23(11-2)20(7)28(36-30)16-33-25(13-4)21(8)32(37(33)9)17-31-24(12-3)19(6)27(35-31)15-29(22)34-26;/h14-17,33,35-36H,10-13H2,1-9H3;/b28-16-,29-15-,30-14-,32-17-;
InChIKeyQNZAFIDLLRHRSL-SBHSRHCASA-N
XLogP6.26
TPSA47.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.81
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,7,8,12,13,17,18-heptaethyl-3-methyl-1,23-dihydroporphyrin
CID 161120870
2,7-diethyl-3,8,12,18-tetramethyl-13,17-dipropyl-21,22,23,24-tetrahydroporphyrin
CID 54269707
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
[4-(13,17-dibutyl-2,8-diethyl-3,7,12,18-tetramethyl-23H-porphyrin-5-ylidene)cyclohexa-2,5-dien-1-ylidene]methanol
CID 137283963
5,9,10,14-tetraethyl-4,15-dimethyl-25,25-di(propan-2-yloxy)-26,27,28-triazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3(28),4,6,8,10,12,14,16(26),17,19,21,23-tridecaene
CID 10886634
methyl 3-[(8Z)-13-ethyl-8-(1-hydroxyethylidene)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22H-porphyrin-2-yl]propanoate
CID 135547564
methyl 3-[8,13-diethyl-20-(hydroxymethylidene)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22H-porphyrin-2-yl]propanoate
CID 135405154
(1Z,9Z)-15-tert-butyl-3,7,12,18-tetraethyl-15-hydroxy-2,8,13,17-tetramethyl-23,24-dihydroporphyrin-5-one
CID 177445940
18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-carboxylic acid
CID 54426326
(9Z,15Z)-2,3,7,8,12,13,17,18-octaethyl-21,22,23,24-tetrahydroporphyrin
CID 162179968
4,9,10,15-tetraethyl-5,14,20-trimethyl-24-thia-23,25-diazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),2,4,6(25),7,9,11,13(23),14,16,18,20-dodecaene-19,21-diol
CID 136777569
(13Z,23Z)-4,7,12,16,21,25-hexaethyl-3,8,11,17,20,26-hexamethyl-27,28,29,30,31,32-hexazaheptacyclo[22.2.1.12,5.16,9.110,13.115,18.119,22]dotriaconta-1(27),2,4,6,8,10(30),11,13,15(29),16,19,21,23,25-tetradecaen-18-ol
CID 177458232

Frequently Asked Questions

What is the IUPAC name of platinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin?
The IUPAC name of platinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin (CID 143829005) is platinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin.
What is the SMILES notation for platinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin?
The canonical SMILES for platinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin is CCC1=C(C)C2=N/C1=C\c1[nH]c(c(CC)c1C)/C=C1/C(C)=C(CC)C(/C=c3\[nH]/c(c(CC)c3C)=C\2)N1C.[Pt].
What is the InChIKey of platinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin?
The InChIKey is QNZAFIDLLRHRSL-SBHSRHCASA-N. The full InChI is InChI=1S/C33H42N4.Pt/c1-10-22-18(5)26-14-30-23(11-2)20(7)28(36-30)16-33-25(13-4)21(8)32(37(33)9)17-31-24(12-3)19(6)27(35-31)15-29(22)34-26;/h14-17,33,35-36H,10-13H2,1-9H3;/b28-16-,29-15-,30-14-,32-17-;.
What are the key properties of platinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin?
platinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin has a molecular weight of 689.81 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;(4Z,10Z,15Z,19Z)-2,7,12,17-tetraethyl-3,8,13,18,21-pentamethyl-22,24-dihydro-1H-porphyrin is sourced from PubChem (CID 143829005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).