(10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane

C32H40N4Si — CID 71518795

IUPAC(10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane
SMILESCCCCc1c2nc(c(C[Si](C)(C)C)c3nc(c(CCCC)c4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2
InChIInChI=1S/C32H40N4Si/c1-6-8-10-24-27-14-12-22(33-27)20-23-13-15-28(34-23)25(11-9-7-2)30-17-19-32(36-30)26(21-37(3,4)5)31-18-16-29(24)35-31/h12-20,33-34H,6-11,21H2,1-5H3/b22-20-,23-20-,27-24-,28-25-,29-24-,30-25-,31-26-,32-26-
InChIKeyICRISDYORLAKRF-JCQUMXAHSA-N
MW508.79 g/mol
LogP8.76
Rot. Bonds8

About (10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane

(10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane (PubChem CID 71518795) has the molecular formula C32H40N4Si and a molecular weight of 508.79 g/mol. Its IUPAC name is (10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane.

Molecular Properties

Compound Name(10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane
PubChem CID71518795
Molecular FormulaC32H40N4Si
Molecular Weight508.79 g/mol
Exact Mass508.30
IUPAC Name(10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane
SMILESCCCCc1c2nc(c(C[Si](C)(C)C)c3nc(c(CCCC)c4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2
InChIInChI=1S/C32H40N4Si/c1-6-8-10-24-27-14-12-22(33-27)20-23-13-15-28(34-23)25(11-9-7-2)30-17-19-32(36-30)26(21-37(3,4)5)31-18-16-29(24)35-31/h12-20,33-34H,6-11,21H2,1-5H3/b22-20-,23-20-,27-24-,28-25-,29-24-,30-25-,31-26-,32-26-
InChIKeyICRISDYORLAKRF-JCQUMXAHSA-N
XLogP8.76
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.79
LogP ≤ 58.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

chromium;5,10,15,20-tetrabutyl-21,22-dihydroporphyrin
CID 158233233
5,10,15,20-tetra(tridecyl)-21,22-dihydroporphyrin
CID 86045230
15-butyl-5-tert-butyl-21,22-dihydroporphyrin
CID 46184275
8-(10,20-dihexyl-21,23-dihydroporphyrin-5-yl)-5,15-dihexyl-21,23-dihydroporphyrin
CID 135448344
10,20-dipentyl-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 10699782
10-(5-bromopentyl)-21,22-dihydroporphyrin
CID 163539540
2-[10,20-dipentyl-15-[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl-tri(propan-2-yl)silane
CID 162097360
trimethyl-[3-[3-[15-[3-[3-(trimethylazaniumyl)propoxy]phenyl]-10-undecyl-21,24-dihydroporphyrin-5-yl]phenoxy]propyl]azanium dichloride
CID 10328444
10,15,20-tripentyl-5-[4-[2-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]ethynyl]phenyl]-21,22-dihydroporphyrin
CID 11194197
5-(3,5-dimethoxyphenyl)-15-hexyl-21,22-dihydroporphyrin
CID 86056630
10-hexyl-15-(4-methylphenyl)-5-(2,4,6-trimethoxyphenyl)-21,23-dihydroporphyrin
CID 135863103
5,15-bis(4-ethynylphenyl)-10,20-dipentyl-21,22-dihydroporphyrin
CID 136754225

Frequently Asked Questions

What is the IUPAC name of (10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane?
The IUPAC name of (10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane (CID 71518795) is (10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane.
What is the SMILES notation for (10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane?
The canonical SMILES for (10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane is CCCCc1c2nc(c(C[Si](C)(C)C)c3nc(c(CCCC)c4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2.
What is the InChIKey of (10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane?
The InChIKey is ICRISDYORLAKRF-JCQUMXAHSA-N. The full InChI is InChI=1S/C32H40N4Si/c1-6-8-10-24-27-14-12-22(33-27)20-23-13-15-28(34-23)25(11-9-7-2)30-17-19-32(36-30)26(21-37(3,4)5)31-18-16-29(24)35-31/h12-20,33-34H,6-11,21H2,1-5H3/b22-20-,23-20-,27-24-,28-25-,29-24-,30-25-,31-26-,32-26-.
What are the key properties of (10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane?
(10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane has a molecular weight of 508.79 g/mol, XLogP of 8.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10,20-dibutyl-23,24-dihydroporphyrin-5-yl)methyl-trimethylsilane is sourced from PubChem (CID 71518795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).