N-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide

C51H47N5O4Si — CID 123343562

IUPACN-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide
SMILESCO[Si](CCCNC(=O)c1ccc(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)cc1)(OC)OC
InChIInChI=1S/C51H47N5O4Si/c1-58-61(59-2,60-3)33-13-32-52-51(57)38-22-20-37(21-23-38)50-45-30-28-43(55-45)48(35-16-9-5-10-17-35)41-26-24-39(53-41)47(34-14-7-4-8-15-34)40-25-27-42(54-40)49(36-18-11-6-12-19-36)44-29-31-46(50)56-44/h4-12,14-31,53-56H,13,32-33H2,1-3H3,(H,52,57)
InChIKeyPMKOPZIKXRTGPV-UHFFFAOYSA-N
MW822.05 g/mol
LogP6.30
Rot. Bonds12

About N-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide

N-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide (PubChem CID 123343562) has the molecular formula C51H47N5O4Si and a molecular weight of 822.05 g/mol. Its IUPAC name is N-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide
PubChem CID123343562
Molecular FormulaC51H47N5O4Si
Molecular Weight822.05 g/mol
Exact Mass821.34
IUPAC NameN-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide
SMILESCO[Si](CCCNC(=O)c1ccc(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)cc1)(OC)OC
InChIInChI=1S/C51H47N5O4Si/c1-58-61(59-2,60-3)33-13-32-52-51(57)38-22-20-37(21-23-38)50-45-30-28-43(55-45)48(35-16-9-5-10-17-35)41-26-24-39(53-41)47(34-14-7-4-8-15-34)40-25-27-42(54-40)49(36-18-11-6-12-19-36)44-29-31-46(50)56-44/h4-12,14-31,53-56H,13,32-33H2,1-3H3,(H,52,57)
InChIKeyPMKOPZIKXRTGPV-UHFFFAOYSA-N
XLogP6.30
TPSA119.95 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.05
LogP ≤ 56.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzoyl]amino]acetic acid
CID 123167281
N-(4-trimethoxysilylphenyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide
CID 123608768
4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
CID 58554755
N-butyl-4-phenylbenzamide
CID 3637649
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
CID 46091667
3-N-phenyl-6-N-(3-trimethoxysilylpropyl)-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide
CID 59153820
4-(propan-2-yldiazenyl)-N-(3-trimethoxysilylpropyl)benzamide
CID 123877140
2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid
CID 174032259
N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide
CID 15410383

Frequently Asked Questions

What is the IUPAC name of N-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide?
The IUPAC name of N-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide (CID 123343562) is N-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide.
What is the SMILES notation for N-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide?
The canonical SMILES for N-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide is CO[Si](CCCNC(=O)c1ccc(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)cc1)(OC)OC.
What is the InChIKey of N-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide?
The InChIKey is PMKOPZIKXRTGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H47N5O4Si/c1-58-61(59-2,60-3)33-13-32-52-51(57)38-22-20-37(21-23-38)50-45-30-28-43(55-45)48(35-16-9-5-10-17-35)41-26-24-39(53-41)47(34-14-7-4-8-15-34)40-25-27-42(54-40)49(36-18-11-6-12-19-36)44-29-31-46(50)56-44/h4-12,14-31,53-56H,13,32-33H2,1-3H3,(H,52,57).
What are the key properties of N-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide?
N-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide has a molecular weight of 822.05 g/mol, XLogP of 6.30, 12 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-trimethoxysilylpropyl)-4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzamide is sourced from PubChem (CID 123343562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).