(5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone

C31H25N3O6 — CID 11103469

IUPAC(5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
SMILESO=C1N[C@H](c2ccccc2)COC(=O)c2cccc(n2)C(=O)OC[C@@H](c2ccccc2)NC(=O)c2cccc1c2
InChIInChI=1S/C31H25N3O6/c35-28-22-13-7-14-23(17-22)29(36)34-27(21-11-5-2-6-12-21)19-40-31(38)25-16-8-15-24(32-25)30(37)39-18-26(33-28)20-9-3-1-4-10-20/h1-17,26-27H,18-19H2,(H,33,35)(H,34,36)/t26-,27-/m0/s1
InChIKeyMUAFFCQXLPUBLR-SVBPBHIXSA-N
MW535.56 g/mol
LogP4.05
Rot. Bonds2

About (5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone

(5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone (PubChem CID 11103469) has the molecular formula C31H25N3O6 and a molecular weight of 535.56 g/mol. Its IUPAC name is (5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone.

Molecular Properties

Compound Name(5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
PubChem CID11103469
Molecular FormulaC31H25N3O6
Molecular Weight535.56 g/mol
Exact Mass535.17
IUPAC Name(5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
SMILESO=C1N[C@H](c2ccccc2)COC(=O)c2cccc(n2)C(=O)OC[C@@H](c2ccccc2)NC(=O)c2cccc1c2
InChIInChI=1S/C31H25N3O6/c35-28-22-13-7-14-23(17-22)29(36)34-27(21-11-5-2-6-12-21)19-40-31(38)25-16-8-15-24(32-25)30(37)39-18-26(33-28)20-9-3-1-4-10-20/h1-17,26-27H,18-19H2,(H,33,35)(H,34,36)/t26-,27-/m0/s1
InChIKeyMUAFFCQXLPUBLR-SVBPBHIXSA-N
XLogP4.05
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.56
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone with MolForge

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Related Compounds

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CID 171184730
(5S,15R)-5,15-dibenzyl-3,17-dioxa-6,14,23,24-tetrazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
CID 21457258
5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
CID 15449519
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725
ethane;4-phenyl-1,3-oxazolidine-2-thione
CID 54377215
4-(3-cyclopropylphenyl)-1,3-oxazolidin-2-one
CID 79977917
3,5-diphenyl-1,4,5,6-tetrahydropyrazolo[5,4-c]pyridin-7-one
CID 12515068
3,11,22,30,45-pentazanonacyclo[30.6.6.613,20.15,9.124,28.014,19.033,38.039,44.046,51]dopentaconta-1(38),5(52),6,8,13(51),14,16,18,20(46),24,26,28(45),32,34,36,39,41,43,47,49-icosaene-4,10,23,29-tetrone
CID 89016813
(11R)-11-hydroxy-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
CID 123762242
4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 140700977
2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine
CID 169180721
(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 1482114

Frequently Asked Questions

What is the IUPAC name of (5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone?
The IUPAC name of (5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone (CID 11103469) is (5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone.
What is the SMILES notation for (5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone?
The canonical SMILES for (5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone is O=C1N[C@H](c2ccccc2)COC(=O)c2cccc(n2)C(=O)OC[C@@H](c2ccccc2)NC(=O)c2cccc1c2.
What is the InChIKey of (5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone?
The InChIKey is MUAFFCQXLPUBLR-SVBPBHIXSA-N. The full InChI is InChI=1S/C31H25N3O6/c35-28-22-13-7-14-23(17-22)29(36)34-27(21-11-5-2-6-12-21)19-40-31(38)25-16-8-15-24(32-25)30(37)39-18-26(33-28)20-9-3-1-4-10-20/h1-17,26-27H,18-19H2,(H,33,35)(H,34,36)/t26-,27-/m0/s1.
What are the key properties of (5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone?
(5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone has a molecular weight of 535.56 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,15R)-5,15-diphenyl-3,17-dioxa-6,14,23-triazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone is sourced from PubChem (CID 11103469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).