11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione

C49H37N2O2P — CID 134241199

IUPAC11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione
SMILESCc1ccc(-c2cccc3c4cccc5c4n(c23)-c2cccc3c2C(=O)N(C3=O)c2cc(-c3ccccc3)ccc2PC(C)c2ccc-5c(C)c2)c(C)c1
InChIInChI=1S/C49H37N2O2P/c1-28-19-22-35(29(2)25-28)37-13-8-15-39-40-16-9-14-38-36-23-20-33(26-30(36)3)31(4)54-44-24-21-34(32-11-6-5-7-12-32)27-43(44)51-48(52)41-17-10-18-42(45(41)49(51)53)50(46(37)39)47(38)40/h5-27,31,54H,1-4H3
InChIKeyOXCKOCKQKBHIBT-UHFFFAOYSA-N
MW716.82 g/mol
LogP11.89
Rot. Bonds2

About 11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione

11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione (PubChem CID 134241199) has the molecular formula C49H37N2O2P and a molecular weight of 716.82 g/mol. Its IUPAC name is 11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione.

Molecular Properties

Compound Name11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione
PubChem CID134241199
Molecular FormulaC49H37N2O2P
Molecular Weight716.82 g/mol
Exact Mass716.26
IUPAC Name11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione
SMILESCc1ccc(-c2cccc3c4cccc5c4n(c23)-c2cccc3c2C(=O)N(C3=O)c2cc(-c3ccccc3)ccc2PC(C)c2ccc-5c(C)c2)c(C)c1
InChIInChI=1S/C49H37N2O2P/c1-28-19-22-35(29(2)25-28)37-13-8-15-39-40-16-9-14-38-36-23-20-33(26-30(36)3)31(4)54-44-24-21-34(32-11-6-5-7-12-32)27-43(44)51-48(52)41-17-10-18-42(45(41)49(51)53)50(46(37)39)47(38)40/h5-27,31,54H,1-4H3
InChIKeyOXCKOCKQKBHIBT-UHFFFAOYSA-N
XLogP11.89
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.82
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione 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

4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134234077
4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234405
4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 158655472
4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234238
4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(2-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(2-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 159890371
4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione
CID 134234291
4-[1,8-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione;4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione;4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione;4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 158958228
7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 166989754
4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234149
2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane
CID 142280707
4-[1,8-bis(3-isocyanophenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione
CID 162446203
2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione
CID 159839798

Frequently Asked Questions

What is the IUPAC name of 11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione?
The IUPAC name of 11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione (CID 134241199) is 11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione.
What is the SMILES notation for 11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione?
The canonical SMILES for 11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione is Cc1ccc(-c2cccc3c4cccc5c4n(c23)-c2cccc3c2C(=O)N(C3=O)c2cc(-c3ccccc3)ccc2PC(C)c2ccc-5c(C)c2)c(C)c1.
What is the InChIKey of 11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione?
The InChIKey is OXCKOCKQKBHIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N2O2P/c1-28-19-22-35(29(2)25-28)37-13-8-15-39-40-16-9-14-38-36-23-20-33(26-30(36)3)31(4)54-44-24-21-34(32-11-6-5-7-12-32)27-43(44)51-48(52)41-17-10-18-42(45(41)49(51)53)50(46(37)39)47(38)40/h5-27,31,54H,1-4H3.
What are the key properties of 11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione?
11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione has a molecular weight of 716.82 g/mol, XLogP of 11.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,4-dimethylphenyl)-29,32-dimethyl-24-phenyl-13,21-diaza-28-phosphaoctacyclo[28.2.2.12,6.118,21.07,12.014,19.022,27.013,36]hexatriaconta-1(32),2,4,6(36),7(12),8,10,14,16,18,22(27),23,25,30,33-pentadecaene-20,35-dione is sourced from PubChem (CID 134241199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).