5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin

C44H44N4O4 — CID 91500775

IUPAC5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin
SMILESCC1(C)COC(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(C3OCC(C)(C)CO3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)OC1
InChIInChI=1S/C44H44N4O4/c1-43(2)23-49-41(50-24-43)39-33-19-15-29(45-33)37(27-11-7-5-8-12-27)31-17-21-35(47-31)40(42-51-25-44(3,4)26-52-42)36-22-18-32(48-36)38(28-13-9-6-10-14-28)30-16-20-34(39)46-30/h5-22,41-42,45-48H,23-26H2,1-4H3
InChIKeyHUPRSSIGSROMRI-UHFFFAOYSA-N
MW692.86 g/mol
LogP5.00
Rot. Bonds4

About 5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin

5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin (PubChem CID 91500775) has the molecular formula C44H44N4O4 and a molecular weight of 692.86 g/mol. Its IUPAC name is 5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin
PubChem CID91500775
Molecular FormulaC44H44N4O4
Molecular Weight692.86 g/mol
Exact Mass692.34
IUPAC Name5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin
SMILESCC1(C)COC(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(C3OCC(C)(C)CO3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)OC1
InChIInChI=1S/C44H44N4O4/c1-43(2)23-49-41(50-24-43)39-33-19-15-29(45-33)37(27-11-7-5-8-12-27)31-17-21-35(47-31)40(42-51-25-44(3,4)26-52-42)36-22-18-32(48-36)38(28-13-9-6-10-14-28)30-16-20-34(39)46-30/h5-22,41-42,45-48H,23-26H2,1-4H3
InChIKeyHUPRSSIGSROMRI-UHFFFAOYSA-N
XLogP5.00
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.86
LogP ≤ 55.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iron(3+);5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin;trichloride
CID 159454747
(1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 91013926
2,7,12,17-tetraphenyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11,13,15,17,19-decaene
CID 91265450
5-(4-ethynylphenyl)-10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin
CID 123167588
2-(5,5-dimethyl-1,3-dioxan-2-yl)-4,5-diphenyl-1H-imidazole;hydrochloride
CID 19900729
5-(4-methylphenyl)-10-phenyl-15,20-dipyridin-3-yl-21,22,23,24-tetrahydroporphyrin
CID 90850065
4-(10,15,20-triphenyl-23,24-dihydro-21H-porphyrin-5-ylidene)cyclohexa-2,5-dien-1-one
CID 51353535
5,10,15,20-tetraphenyl-1,14,21,22,23,24-hexahydroporphyrin
CID 75210756
2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane
CID 174359153
2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol
CID 123266108
2-[[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzoyl]amino]acetic acid
CID 123167281
2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane
CID 57249798

Frequently Asked Questions

What is the IUPAC name of 5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin (CID 91500775) is 5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin is CC1(C)COC(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(C3OCC(C)(C)CO3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)OC1.
What is the InChIKey of 5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is HUPRSSIGSROMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N4O4/c1-43(2)23-49-41(50-24-43)39-33-19-15-29(45-33)37(27-11-7-5-8-12-27)31-17-21-35(47-31)40(42-51-25-44(3,4)26-52-42)36-22-18-32(48-36)38(28-13-9-6-10-14-28)30-16-20-34(39)46-30/h5-22,41-42,45-48H,23-26H2,1-4H3.
What are the key properties of 5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin?
5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 692.86 g/mol, XLogP of 5.00, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91500775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).