(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

C27H22N4O2 — CID 27234906

IUPAC(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
SMILESCC1=NN(c2ccccc2)C(=O)[C@@]12C(c1ccccc1)[C@@]21C(=O)N(c2ccccc2)N=C1C
InChIInChI=1S/C27H22N4O2/c1-18-26(24(32)30(28-18)21-14-8-4-9-15-21)23(20-12-6-3-7-13-20)27(26)19(2)29-31(25(27)33)22-16-10-5-11-17-22/h3-17,23H,1-2H3/t26-,27-/m0/s1
InChIKeyRWXPGIAXJOEUPA-SVBPBHIXSA-N
MW434.50 g/mol
LogP4.60
Rot. Bonds3

About (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

(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 (PubChem CID 27234906) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID27234906
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC Name(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
SMILESCC1=NN(c2ccccc2)C(=O)[C@@]12C(c1ccccc1)[C@@]21C(=O)N(c2ccccc2)N=C1C
InChIInChI=1S/C27H22N4O2/c1-18-26(24(32)30(28-18)21-14-8-4-9-15-21)23(20-12-6-3-7-13-20)27(26)19(2)29-31(25(27)33)22-16-10-5-11-17-22/h3-17,23H,1-2H3/t26-,27-/m0/s1
InChIKeyRWXPGIAXJOEUPA-SVBPBHIXSA-N
XLogP4.60
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,6S)-1,10-dimethyl-3,8,11-triphenyl-2,3,8,9-tetrazadispiro[4.0.46.15]undeca-1,9-diene-4,7-dione
CID 27234903
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
(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
methyl (1R,2S,3R,4R)-3'-methyl-5'-oxo-1'-phenyl-2-(trifluoromethyl)spiro[bicyclo[2.2.1]hept-5-ene-3,4'-pyrazole]-2-carboxylate
CID 100822874
(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
(5S,6R,8S,9S,10S)-8-(4-chlorophenyl)-6-hydroxy-1,6-dimethyl-9-nitro-3,10-diphenyl-2,3-diazaspiro[4.5]dec-1-en-4-one
CID 132532313
(2S,3S)-2-(3-bromophenyl)-7-methyl-5-phenyl-1-oxa-5,6-diazaspiro[2.4]hept-6-en-4-one
CID 139050847
(2S)-5'-methyl-2'-phenylspiro[1-benzothiophene-2,4'-pyrazole]-3,3'-dione
CID 7714795
4-hydroxy-5-methyl-4-phenacyl-2-phenylpyrazol-3-one
CID 122224342
(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
4-iodo-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 43835372

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1=NN(c2ccccc2)C(=O)[C@@]12C(c1ccccc1)[C@@]21C(=O)N(c2ccccc2)N=C1C.
What is the InChIKey of (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?
The InChIKey is RWXPGIAXJOEUPA-SVBPBHIXSA-N. The full InChI is InChI=1S/C27H22N4O2/c1-18-26(24(32)30(28-18)21-14-8-4-9-15-21)23(20-12-6-3-7-13-20)27(26)19(2)29-31(25(27)33)22-16-10-5-11-17-22/h3-17,23H,1-2H3/t26-,27-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 434.50 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 27234906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).