(6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione

C28H25N3O3 — CID 177479430

IUPAC(6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione
SMILESCC1=NN(c2ccccc2)C(=O)C12C(c1ccccc1)C1(CCOC1=O)N[C@H]2c1ccccc1
InChIInChI=1S/C28H25N3O3/c1-19-28(25(32)31(30-19)22-15-9-4-10-16-22)23(20-11-5-2-6-12-20)27(17-18-34-26(27)33)29-24(28)21-13-7-3-8-14-21/h2-16,23-24,29H,17-18H2,1H3/t23?,24-,27?,28?/m0/s1
InChIKeyRBBSNGNZMGAQHC-YSYGYCFTSA-N
MW451.53 g/mol
LogP4.21
Rot. Bonds3

About (6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione

(6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione (PubChem CID 177479430) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is (6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione.

Molecular Properties

Compound Name(6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione
PubChem CID177479430
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC Name(6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione
SMILESCC1=NN(c2ccccc2)C(=O)C12C(c1ccccc1)C1(CCOC1=O)N[C@H]2c1ccccc1
InChIInChI=1S/C28H25N3O3/c1-19-28(25(32)31(30-19)22-15-9-4-10-16-22)23(20-11-5-2-6-12-20)27(17-18-34-26(27)33)29-24(28)21-13-7-3-8-14-21/h2-16,23-24,29H,17-18H2,1H3/t23?,24-,27?,28?/m0/s1
InChIKeyRBBSNGNZMGAQHC-YSYGYCFTSA-N
XLogP4.21
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 27234903
(5R,6R)-1,10-dimethyl-3,8,11-triphenyl-2,3,8,9-tetrazadispiro[4.0.46.15]undeca-1,9-diene-4,7-dione
CID 27234906
diethyl (5R,6R,9S)-1-methyl-6-(4-nitrophenyl)-4-oxo-3,9-diphenyl-2,3,7-triazaspiro[4.4]non-1-ene-8,8-dicarboxylate
CID 132584979
(6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione
CID 71553118
(6S,10S)-6,10-bis(4-methoxyphenyl)-1-methyl-3-phenyl-8-sulfanylidene-2,3,7,9-tetrazaspiro[4.5]dec-1-en-4-one
CID 139213709
(5S,6R)-1,7-dimethyl-3,9-diphenyl-11-oxa-2,3,8,9-tetrazadispiro[4.0.46.15]undeca-1,7-diene-4,10-dione
CID 27234921
4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one
CID 43834929
4,4-dichloro-5-methyl-2-phenylpyrazol-3-one
CID 847413
(2R,3R,3aR,9bR)-3a-phenacyl-3-phenylspiro[3,9b-dihydro-1H-chromeno[4,3-b]pyrrole-2,3'-oxolane]-2',4-dione
CID 139193963
(4S)-4-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-5-methyl-4-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-phenylpyrazol-3-one
CID 124808631
[(5S,6S,9R)-1-methyl-6-(4-methylphenyl)-4-oxo-3-phenyl-7-thia-2,3-diazaspiro[4.4]non-1-en-9-yl] acetate
CID 132606081
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Frequently Asked Questions

What is the IUPAC name of (6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione?
The IUPAC name of (6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione (CID 177479430) is (6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione.
What is the SMILES notation for (6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione?
The canonical SMILES for (6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione is CC1=NN(c2ccccc2)C(=O)C12C(c1ccccc1)C1(CCOC1=O)N[C@H]2c1ccccc1.
What is the InChIKey of (6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione?
The InChIKey is RBBSNGNZMGAQHC-YSYGYCFTSA-N. The full InChI is InChI=1S/C28H25N3O3/c1-19-28(25(32)31(30-19)22-15-9-4-10-16-22)23(20-11-5-2-6-12-20)27(17-18-34-26(27)33)29-24(28)21-13-7-3-8-14-21/h2-16,23-24,29H,17-18H2,1H3/t23?,24-,27?,28?/m0/s1.
What are the key properties of (6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione?
(6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione has a molecular weight of 451.53 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione is sourced from PubChem (CID 177479430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).