5,5,31,31-tetramethyl-15,21,36-triphenyl-15,21,36-triaza-1-phosphadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene

C54H40N3P — CID 134317509

IUPAC5,5,31,31-tetramethyl-15,21,36-triphenyl-15,21,36-triaza-1-phosphadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene
SMILESCC1(C)c2ccccc2-c2cc3c4c(c21)N(c1ccccc1)c1c2c(cc5c1C(C)(C)c1ccccc1-5)N(c1ccccc1)c1cccc(c1P42)N3c1ccccc1
InChIInChI=1S/C54H40N3P/c1-53(2)40-27-16-14-25-36(40)38-31-44-51-48(46(38)53)57(35-23-12-7-13-24-35)49-47-39(37-26-15-17-28-41(37)54(47,3)4)32-45-52(49)58(51)50-42(55(44)33-19-8-5-9-20-33)29-18-30-43(50)56(45)34-21-10-6-11-22-34/h5-32H,1-4H3
InChIKeyOEYIHZNEJGNMIE-UHFFFAOYSA-N
MW761.91 g/mol
LogP13.41
Rot. Bonds3

About 5,5,31,31-tetramethyl-15,21,36-triphenyl-15,21,36-triaza-1-phosphadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene

5,5,31,31-tetramethyl-15,21,36-triphenyl-15,21,36-triaza-1-phosphadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene (PubChem CID 134317509) has the molecular formula C54H40N3P and a molecular weight of 761.91 g/mol. Its IUPAC name is 5,5,31,31-tetramethyl-15,21,36-triphenyl-15,21,36-triaza-1-phosphadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene.

Molecular Properties

Compound Name5,5,31,31-tetramethyl-15,21,36-triphenyl-15,21,36-triaza-1-phosphadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene
PubChem CID134317509
Molecular FormulaC54H40N3P
Molecular Weight761.91 g/mol
Exact Mass761.30
IUPAC Name5,5,31,31-tetramethyl-15,21,36-triphenyl-15,21,36-triaza-1-phosphadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene
SMILESCC1(C)c2ccccc2-c2cc3c4c(c21)N(c1ccccc1)c1c2c(cc5c1C(C)(C)c1ccccc1-5)N(c1ccccc1)c1cccc(c1P42)N3c1ccccc1
InChIInChI=1S/C54H40N3P/c1-53(2)40-27-16-14-25-36(40)38-31-44-51-48(46(38)53)57(35-23-12-7-13-24-35)49-47-39(37-26-15-17-28-41(37)54(47,3)4)32-45-52(49)58(51)50-42(55(44)33-19-8-5-9-20-33)29-18-30-43(50)56(45)34-21-10-6-11-22-34/h5-32H,1-4H3
InChIKeyOEYIHZNEJGNMIE-UHFFFAOYSA-N
XLogP13.41
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.91
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,5,31,31-tetramethyl-15,21,36-triphenyl-15,21,36-triaza-1-phosphadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene with MolForge

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Related Compounds

17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-disilahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene
CID 159871363
17,27,32,54,56,58-hexakis-phenyl-17,27,32,54,56,58-hexaza-6,43-diborahexadecacyclo[29.23.1.14,8.16,18.141,45.02,29.05,28.07,16.010,15.019,24.033,42.035,40.043,55.044,53.046,51.026,57]octapentaconta-1(55),2,4,7(16),8,10,12,14,18(57),19,21,23,25,28,30,33,35,37,39,41,44,46,48,50,52-pentacosaene;17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-diborahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene
CID 158491524
8-(9,9-dimethylfluoren-1-yl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 149368302
8,8-dimethyl-5,13-diphenylindeno[1,2-a]phenophosphazinine
CID 118668325
6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-8,14,22-triaza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 134317484
11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene
CID 66805110
14,14-dimethyl-8-phenyl-1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 118443210
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
5,5,22,22,29,29-hexamethyl-16,35-diphenyl-1,9,16,35-tetrazaundecacyclo[28.11.1.19,17.02,28.04,26.06,25.08,23.010,15.034,42.036,41.021,43]tritetraconta-2(28),3,6,8(23),10,12,14,17,19,21(43),24,26,30(42),31,33,36,38,40-octadecaene
CID 58489868
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
30,30-dimethyl-11,16,22-triphenyl-11,16,22-triaza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene
CID 166568286
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]fluoren-2-amine
CID 129062191

Frequently Asked Questions

What is the IUPAC name of 5,5,31,31-tetramethyl-15,21,36-triphenyl-15,21,36-triaza-1-phosphadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene?
The IUPAC name of 5,5,31,31-tetramethyl-15,21,36-triphenyl-15,21,36-triaza-1-phosphadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene (CID 134317509) is 5,5,31,31-tetramethyl-15,21,36-triphenyl-15,21,36-triaza-1-phosphadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene.
What is the SMILES notation for 5,5,31,31-tetramethyl-15,21,36-triphenyl-15,21,36-triaza-1-phosphadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene?
The canonical SMILES for 5,5,31,31-tetramethyl-15,21,36-triphenyl-15,21,36-triaza-1-phosphadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene is CC1(C)c2ccccc2-c2cc3c4c(c21)N(c1ccccc1)c1c2c(cc5c1C(C)(C)c1ccccc1-5)N(c1ccccc1)c1cccc(c1P42)N3c1ccccc1.
What is the InChIKey of 5,5,31,31-tetramethyl-15,21,36-triphenyl-15,21,36-triaza-1-phosphadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene?
The InChIKey is OEYIHZNEJGNMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N3P/c1-53(2)40-27-16-14-25-36(40)38-31-44-51-48(46(38)53)57(35-23-12-7-13-24-35)49-47-39(37-26-15-17-28-41(37)54(47,3)4)32-45-52(49)58(51)50-42(55(44)33-19-8-5-9-20-33)29-18-30-43(50)56(45)34-21-10-6-11-22-34/h5-32H,1-4H3.
What are the key properties of 5,5,31,31-tetramethyl-15,21,36-triphenyl-15,21,36-triaza-1-phosphadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene?
5,5,31,31-tetramethyl-15,21,36-triphenyl-15,21,36-triaza-1-phosphadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene has a molecular weight of 761.91 g/mol, XLogP of 13.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,31,31-tetramethyl-15,21,36-triphenyl-15,21,36-triaza-1-phosphadecacyclo[18.14.1.13,33.02,14.04,12.06,11.016,35.022,34.024,32.025,30]hexatriaconta-2(14),3,6,8,10,12,16(35),17,19,22(34),23,25,27,29,32-pentadecaene is sourced from PubChem (CID 134317509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).