N,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine

C49H28N4 — CID 169056870

IUPACN,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c4cc5ccccc5c5c6c7c8c9ccccc9cc9c%10ccccc%10n(c7ncc6n(c23)c45)c98)cc1
InChIInChI=1S/C49H28N4/c1-3-16-31(17-4-1)51(32-18-5-2-6-19-32)40-25-13-23-36-38-27-30-15-7-9-20-33(30)42-44-41(52(46(36)40)47(38)42)28-50-49-45(44)43-34-21-10-8-14-29(34)26-37-35-22-11-12-24-39(35)53(49)48(37)43/h1-28H
InChIKeyFYAJFFAINPOXRY-UHFFFAOYSA-N
MW672.79 g/mol
LogP13.16
Rot. Bonds3

About N,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine

N,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine (PubChem CID 169056870) has the molecular formula C49H28N4 and a molecular weight of 672.79 g/mol. Its IUPAC name is N,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine.

Molecular Properties

Compound NameN,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine
PubChem CID169056870
Molecular FormulaC49H28N4
Molecular Weight672.79 g/mol
Exact Mass672.23
IUPAC NameN,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c4cc5ccccc5c5c6c7c8c9ccccc9cc9c%10ccccc%10n(c7ncc6n(c23)c45)c98)cc1
InChIInChI=1S/C49H28N4/c1-3-16-31(17-4-1)51(32-18-5-2-6-19-32)40-25-13-23-36-38-27-30-15-7-9-20-33(30)42-44-41(52(46(36)40)47(38)42)28-50-49-45(44)43-34-21-10-8-14-29(34)26-37-35-22-11-12-24-39(35)53(49)48(37)43/h1-28H
InChIKeyFYAJFFAINPOXRY-UHFFFAOYSA-N
XLogP13.16
TPSA24.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.79
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine with MolForge

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Related Compounds

N,N-diphenyl-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.022,27.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21(30),22,24,26,28,31,33,35,37-nonadecaen-13-amine
CID 169057497
N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4(40),5,7,9,11,13,15,17,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-26-amine
CID 169057203
N,N-diphenyl-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21(30),22,24,26,28,31,33,35,37-nonadecaen-13-amine
CID 169056949
17-N,17-N,26-N,26-N-tetraphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.032,37.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31(39),32,34,36-nonadecaene-17,26-diamine
CID 169056236
N,N-diphenyl-5,18,20-triazadecacyclo[18.14.1.15,12.02,19.04,17.06,11.021,26.027,35.028,33.016,36]hexatriaconta-1(34),2,4(17),6(11),7,9,12(36),13,15,18,21,23,25,27(35),28,30,32-heptadecaen-7-amine
CID 169055730
N,N-diphenyl-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31,33,35,37-nonadecaen-13-amine
CID 169057199
6,11-ditert-butyl-N,N-diphenyl-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21(30),22,24,26,28,31,33,35,37-nonadecaen-22-amine
CID 169055736
N,N-diphenyl-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.08,13.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6,8,10,12,14,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaen-26-amine
CID 169057335
N,N-diphenyl-3,5,18,20-tetrazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.032,37.016,40]tetraconta-1(38),2,4(17),6,8,10,12(40),13,15,18,21(30),22,24,26,28,31(39),32,34,36-nonadecaen-22-amine
CID 169057412
15,37-ditert-butyl-N,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine
CID 169056060
15,37-ditert-butyl-N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine
CID 169055935
N,N-diphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8(13),9,11,14(36),15,17,20,22,25,27,29,31(35),32-heptadecaen-9-amine
CID 169056077

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine?
The IUPAC name of N,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine (CID 169056870) is N,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine.
What is the SMILES notation for N,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine?
The canonical SMILES for N,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine is c1ccc(N(c2ccccc2)c2cccc3c4cc5ccccc5c5c6c7c8c9ccccc9cc9c%10ccccc%10n(c7ncc6n(c23)c45)c98)cc1.
What is the InChIKey of N,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine?
The InChIKey is FYAJFFAINPOXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4/c1-3-16-31(17-4-1)51(32-18-5-2-6-19-32)40-25-13-23-36-38-27-30-15-7-9-20-33(30)42-44-41(52(46(36)40)47(38)42)28-50-49-45(44)43-34-21-10-8-14-29(34)26-37-35-22-11-12-24-39(35)53(49)48(37)43/h1-28H.
What are the key properties of N,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine?
N,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine has a molecular weight of 672.79 g/mol, XLogP of 13.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-19,21,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2,4(40),5,7,9,11,13,15,17,20,22,25(30),26,28,31,33,35,37-nonadecaen-26-amine is sourced from PubChem (CID 169056870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).