N,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine

C48H27N3O — CID 167104930

IUPACN,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c5c6ccccc6n6c7ccc8c9ccccc9oc8c7c(cc4n4c7ccccc7c2c34)c56)cc1
InChIInChI=1S/C48H27N3O/c1-3-13-28(14-4-1)49(29-15-5-2-6-16-29)38-26-24-34-42-40(51-36-20-10-7-18-32(36)43(38)46(34)51)27-35-44-39(50-37-21-11-8-19-33(37)45(42)47(35)50)25-23-31-30-17-9-12-22-41(30)52-48(31)44/h1-27H
InChIKeyLBEWOSFBPWPTTI-UHFFFAOYSA-N
MW661.76 g/mol
LogP13.36
Rot. Bonds3

About N,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine

N,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine (PubChem CID 167104930) has the molecular formula C48H27N3O and a molecular weight of 661.76 g/mol. Its IUPAC name is N,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine.

Molecular Properties

Compound NameN,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine
PubChem CID167104930
Molecular FormulaC48H27N3O
Molecular Weight661.76 g/mol
Exact Mass661.22
IUPAC NameN,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c5c6ccccc6n6c7ccc8c9ccccc9oc8c7c(cc4n4c7ccccc7c2c34)c56)cc1
InChIInChI=1S/C48H27N3O/c1-3-13-28(14-4-1)49(29-15-5-2-6-16-29)38-26-24-34-42-40(51-36-20-10-7-18-32(36)43(38)46(34)51)27-35-44-39(50-37-21-11-8-19-33(37)45(42)47(35)50)25-23-31-30-17-9-12-22-41(30)52-48(31)44/h1-27H
InChIKeyLBEWOSFBPWPTTI-UHFFFAOYSA-N
XLogP13.36
TPSA25.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.76
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine with MolForge

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Related Compounds

10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine
CID 167105186
N,N,24,29-tetraphenyl-15,20-diazanonacyclo[18.10.1.14,8.02,19.03,16.09,14.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),4(32),5,7,9,11,13,17,21(26),22,24,27(31),28-pentadecaen-7-amine
CID 167105094
20,28-ditert-butyl-N-(20,28-ditert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18(23),19,21,25(30),26,28-pentadecaen-6-yl)-N-phenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18(23),19,21,25(30),26,28-pentadecaen-6-amine
CID 167105184
9-(29-oxa-10,20-diazaundecacyclo[18.17.1.13,10.02,19.04,9.011,16.021,33.022,30.023,28.034,38.017,39]nonatriaconta-1(37),2(19),3(39),4,6,8,11,13,15,17,21,23,25,27,30,32,34(38),35-octadecaen-31-yl)-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene
CID 139323453
N,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine
CID 167104860
9,24-ditert-butyl-13-N,28-N-di(dibenzofuran-3-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine
CID 167343468
13-N,21-N-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 146376636
13-N,28-N-bis(3-deuteriophenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 164841250
13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(1-phenyldibenzofuran-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 171728232
N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine
CID 118651787
13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(3-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-bis(3-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 159463495
N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine
CID 138745135

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine?
The IUPAC name of N,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine (CID 167104930) is N,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine.
What is the SMILES notation for N,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine?
The canonical SMILES for N,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine is c1ccc(N(c2ccccc2)c2ccc3c4c5c6ccccc6n6c7ccc8c9ccccc9oc8c7c(cc4n4c7ccccc7c2c34)c56)cc1.
What is the InChIKey of N,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine?
The InChIKey is LBEWOSFBPWPTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27N3O/c1-3-13-28(14-4-1)49(29-15-5-2-6-16-29)38-26-24-34-42-40(51-36-20-10-7-18-32(36)43(38)46(34)51)27-35-44-39(50-37-21-11-8-19-33(37)45(42)47(35)50)25-23-31-30-17-9-12-22-41(30)52-48(31)44/h1-27H.
What are the key properties of N,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine?
N,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine has a molecular weight of 661.76 g/mol, XLogP of 13.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine is sourced from PubChem (CID 167104930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).