33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene

C37H23N3 — CID 158454109

IUPAC33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene
SMILESCn1c2cccc3c4cccc5c6ccccc6n(c45)c4c(c32)c1cc1c2ccccc2n(-c2ccccc2)c14
InChIInChI=1S/C37H23N3/c1-38-31-20-10-15-25-27-17-9-16-26-23-13-5-8-19-30(23)40(35(26)27)37-34(33(25)31)32(38)21-28-24-14-6-7-18-29(24)39(36(28)37)22-11-3-2-4-12-22/h2-21H,1H3
InChIKeyGOIKZMGTCXYKKS-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.58
Rot. Bonds1

About 33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene

33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene (PubChem CID 158454109) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene.

Molecular Properties

Compound Name33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene
PubChem CID158454109
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene
SMILESCn1c2cccc3c4cccc5c6ccccc6n(c45)c4c(c32)c1cc1c2ccccc2n(-c2ccccc2)c14
InChIInChI=1S/C37H23N3/c1-38-31-20-10-15-25-27-17-9-16-26-23-13-5-8-19-30(23)40(35(26)27)37-34(33(25)31)32(38)21-28-24-14-6-7-18-29(24)39(36(28)37)22-11-3-2-4-12-22/h2-21H,1H3
InChIKeyGOIKZMGTCXYKKS-UHFFFAOYSA-N
XLogP9.58
TPSA14.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene with MolForge

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Related Compounds

29-methyl-9-phenyl-1,9,29-triazaoctacyclo[13.12.1.114,17.02,10.03,8.011,28.016,21.022,27]nonacosa-2(10),3,5,7,11(28),12,14,16(21),17,19,22,24,26-tridecaene
CID 174282373
4-phenyl-4,19-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.020,25.026,30]triaconta-1(29),2(18),3(11),5,7,9,12,14,16,20,22,24,26(30),27-tetradecaene
CID 163748351
11-phenyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene
CID 118186719
16,38-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(45),2,4(24),6(18),7,9(17),10,12,14,19,21,23(46),25,28(40),29,31(39),32,34,36,41,43-henicosaene
CID 146512233
14-phenyl-5,14,27,41-tetrazapentadecacyclo[25.22.1.15,19.130,34.02,26.04,24.06,18.07,15.08,13.028,45.029,42.035,40.046,50.023,52.041,51]dopentaconta-1(49),2,4(24),6(18),7(15),8,10,12,16,19(52),20,22,25,28(45),29(42),30,32,34(51),35,37,39,43,46(50),47-tetracosaene
CID 155308708
28-methyl-9-phenyl-23-thia-1,9,28-triazaoctacyclo[13.11.1.114,17.02,10.03,8.011,27.016,21.022,26]octacosa-2(10),3,5,7,11(27),12,14,16(21),17,19,22(26),24-dodecaene
CID 174285356
26-methyl-4-phenyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 157440559
3,15,25,37-tetraphenyl-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene
CID 146512315
9,15-diphenyl-9,15,26,30-tetrazatridecacyclo[24.18.1.130,37.02,10.03,8.012,45.013,25.014,22.016,21.027,44.029,42.031,36.041,46]hexatetraconta-1(45),2(10),3,5,7,11,13(25),14(22),16,18,20,23,27(44),28,31,33,35,37(46),38,40,42-henicosaene;12,23-diphenyl-1,12,23,41-tetrazatridecacyclo[24.18.1.130,34.02,14.05,13.06,11.015,45.016,24.017,22.027,44.029,42.035,40.041,46]hexatetraconta-2(14),3,5(13),6,8,10,15(45),16(24),17,19,21,25,27(44),28,30,32,34(46),35,37,39,42-henicosaene;13,38-diphenyl-13,23,27,38-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(45),2,4(24),5(46),6(14),7,9,11,15,17,19,21,25,28(40),29,31(39),32,34,36,41,43-henicosaene;16,30-diphenyl-1,5,16,30-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.029,37.031,36.038,45.039,44.023,46]hexatetraconta-2(26),3,6(18),7,9(17),10,12,14,19,21,23(46),24,27,29(37),31,33,35,38(45),39,41,43-henicosaene;16,34-diphenyl-1,5,16,34-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.031,45.032,44.033,41.035,40.023,46]hexatetraconta-2(26),3,6(18),7,9(17),10,12,14,19,21,23(46),24,27(45),28,30,32(44),33(41),35,37,39,42-henicosaene
CID 163902636
14-methyl-6-[3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 167193782
N,N,8,30-tetraphenyl-5,8,27,30-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19,21,23(46),25,28(40),29(37),31,33,35,38,41(45),42-henicosaen-20-amine
CID 167343569
9-phenyl-31-[3-[3-(42-phenyl-5,20,27,42-tetrazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.014,19.028,33.034,45.035,43.036,41.023,46]hexatetraconta-1(44),2,4(24),6,8,10,12(46),13(21),14,16,18,22,25,28,30,32,34(45),35(43),36,38,40-henicosaen-20-yl)phenyl]phenyl]-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene
CID 167304313

Frequently Asked Questions

What is the IUPAC name of 33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene?
The IUPAC name of 33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene (CID 158454109) is 33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene.
What is the SMILES notation for 33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene?
The canonical SMILES for 33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene is Cn1c2cccc3c4cccc5c6ccccc6n(c45)c4c(c32)c1cc1c2ccccc2n(-c2ccccc2)c14.
What is the InChIKey of 33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene?
The InChIKey is GOIKZMGTCXYKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c1-38-31-20-10-15-25-27-17-9-16-26-23-13-5-8-19-30(23)40(35(26)27)37-34(33(25)31)32(38)21-28-24-14-6-7-18-29(24)39(36(28)37)22-11-3-2-4-12-22/h2-21H,1H3.
What are the key properties of 33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene?
33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene has a molecular weight of 509.61 g/mol, XLogP of 9.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene is sourced from PubChem (CID 158454109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).