26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene

C38H21N3 — CID 162480374

IUPAC26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene
SMILESc1ccc(-n2c3ccccc3c3c4c5cc6c(cc5n5ccc(cc32)c45)c2cccc3c4ccccc4n6c32)cc1
InChIInChI=1S/C38H21N3/c1-2-9-23(10-3-1)40-31-16-7-5-12-27(31)35-34(40)19-22-17-18-39-32-20-28-26-14-8-13-25-24-11-4-6-15-30(24)41(38(25)26)33(28)21-29(32)36(35)37(22)39/h1-21H
InChIKeyIPRSAUZDEDAKIB-UHFFFAOYSA-N
MW519.61 g/mol
LogP9.93
Rot. Bonds1

About 26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene

26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene (PubChem CID 162480374) has the molecular formula C38H21N3 and a molecular weight of 519.61 g/mol. Its IUPAC name is 26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene.

Molecular Properties

Compound Name26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene
PubChem CID162480374
Molecular FormulaC38H21N3
Molecular Weight519.61 g/mol
Exact Mass519.17
IUPAC Name26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene
SMILESc1ccc(-n2c3ccccc3c3c4c5cc6c(cc5n5ccc(cc32)c45)c2cccc3c4ccccc4n6c32)cc1
InChIInChI=1S/C38H21N3/c1-2-9-23(10-3-1)40-31-16-7-5-12-27(31)35-34(40)19-22-17-18-39-32-20-28-26-14-8-13-25-24-11-4-6-15-30(24)41(38(25)26)33(28)21-29(32)36(35)37(22)39/h1-21H
InChIKeyIPRSAUZDEDAKIB-UHFFFAOYSA-N
XLogP9.93
TPSA13.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.61
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene 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

31-phenyl-5,20,31-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.024,32.025,30.016,35]pentatriaconta-1(33),2(19),3,6,8,10,12(35),13,15,17,21,23(34),24(32),25,27,29-hexadecaene
CID 162480380
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
1,5-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.028,31.016,32]dotriaconta-2(19),3,6,8,10,12(32),13,15,17,20(31),21,23,25,27,29-pentadecaene
CID 162480485
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
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-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
16-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2,4,6,8,10,13(18),14,16,19,21-undecaene
CID 153449380
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
4-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 157089999
6,25-diphenyl-2,6,21,25-tetrazaundecacyclo[19.17.1.12,16.03,15.05,13.07,12.022,34.024,32.026,31.035,39.020,40]tetraconta-1(38),3(15),4,7,9,11,13,16(40),17,19,22(34),23,26,28,30,32,35(39),36-octadecaene
CID 162500970
13-pyren-2-yl-1,13-diazaoctacyclo[17.10.1.02,18.04,16.06,14.07,12.023,30.024,29]triaconta-2,4,6(14),7,9,11,15,17,19,21,23(30),24,26,28-tetradecaene
CID 142323872
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

Frequently Asked Questions

What is the IUPAC name of 26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene?
The IUPAC name of 26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene (CID 162480374) is 26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene.
What is the SMILES notation for 26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene?
The canonical SMILES for 26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene is c1ccc(-n2c3ccccc3c3c4c5cc6c(cc5n5ccc(cc32)c45)c2cccc3c4ccccc4n6c32)cc1.
What is the InChIKey of 26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene?
The InChIKey is IPRSAUZDEDAKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3/c1-2-9-23(10-3-1)40-31-16-7-5-12-27(31)35-34(40)19-22-17-18-39-32-20-28-26-14-8-13-25-24-11-4-6-15-30(24)41(38(25)26)33(28)21-29(32)36(35)37(22)39/h1-21H.
What are the key properties of 26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene?
26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene has a molecular weight of 519.61 g/mol, XLogP of 9.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 26-phenyl-5,20,26-triazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.023,34.025,33.027,32.016,35]pentatriaconta-1(34),2(19),3,6,8,10,12(35),13,15,17,21,23,25(33),27,29,31-hexadecaene is sourced from PubChem (CID 162480374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).