31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene

C43H26N2 — CID 159287578

IUPAC31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5cccc6c7cccc8c7c7c(cccc7c7ccccc7n4c65)C8)c32)cc1
InChIInChI=1S/C43H26N2/c1-2-13-28(14-3-1)44-36-21-6-5-16-30(36)34-23-24-38-41(43(34)44)35-20-10-19-33-32-18-9-12-27-25-26-11-8-17-31(39(26)40(27)32)29-15-4-7-22-37(29)45(38)42(33)35/h1-24H,25H2
InChIKeyOXTBWPRROUHXQI-UHFFFAOYSA-N
MW570.70 g/mol
LogP11.27
Rot. Bonds1

About 31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene

31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene (PubChem CID 159287578) has the molecular formula C43H26N2 and a molecular weight of 570.70 g/mol. Its IUPAC name is 31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene.

Molecular Properties

Compound Name31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene
PubChem CID159287578
Molecular FormulaC43H26N2
Molecular Weight570.70 g/mol
Exact Mass570.21
IUPAC Name31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5cccc6c7cccc8c7c7c(cccc7c7ccccc7n4c65)C8)c32)cc1
InChIInChI=1S/C43H26N2/c1-2-13-28(14-3-1)44-36-21-6-5-16-30(36)34-23-24-38-41(43(34)44)35-20-10-19-33-32-18-9-12-27-25-26-11-8-17-31(39(26)40(27)32)29-15-4-7-22-37(29)45(38)42(33)35/h1-24H,25H2
InChIKeyOXTBWPRROUHXQI-UHFFFAOYSA-N
XLogP11.27
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.70
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene with MolForge

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Related Compounds

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
12-phenyl-28-oxa-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene
CID 146376489
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
7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene
CID 138506886
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
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
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CID 138507041
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CID 163748351
12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene
CID 130452310
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
5-(9H-fluoren-2-yl)-12-phenylindolo[3,2-c]carbazole
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CID 121289125

Frequently Asked Questions

What is the IUPAC name of 31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene?
The IUPAC name of 31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene (CID 159287578) is 31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene.
What is the SMILES notation for 31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene?
The canonical SMILES for 31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene is c1ccc(-n2c3ccccc3c3ccc4c(c5cccc6c7cccc8c7c7c(cccc7c7ccccc7n4c65)C8)c32)cc1.
What is the InChIKey of 31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene?
The InChIKey is OXTBWPRROUHXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2/c1-2-13-28(14-3-1)44-36-21-6-5-16-30(36)34-23-24-38-41(43(34)44)35-20-10-19-33-32-18-9-12-27-25-26-11-8-17-31(39(26)40(27)32)29-15-4-7-22-37(29)45(38)42(33)35/h1-24H,25H2.
What are the key properties of 31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene?
31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene has a molecular weight of 570.70 g/mol, XLogP of 11.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 31-phenyl-20,31-diazadecacyclo[18.17.1.16,9.02,7.08,13.014,19.021,33.024,32.025,30.034,38]nonatriaconta-1(38),2,4,6,8,10,12,14,16,18,21(33),22,24(32),25,27,29,34,36-octadecaene is sourced from PubChem (CID 159287578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).