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

C66H39N5 — CID 167343569

IUPACN,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
SMILESc1ccc(N(c2ccccc2)c2ccc3c4cc5c(cc4n4c3c2c2ccc3c6ccccc6n(-c6ccccc6)c3c24)c2cccc3c4ccc6c7ccccc7n(-c7ccccc7)c6c4n5c23)cc1
InChIInChI=1S/C66H39N5/c1-5-18-40(19-6-1)67(41-20-7-2-8-21-41)57-37-36-51-54-39-58-53(38-59(54)71-62(51)60(57)52-35-34-49-45-27-14-16-31-56(45)69(64(49)66(52)71)43-24-11-4-12-25-43)47-29-17-28-46-50-33-32-48-44-26-13-15-30-55(44)68(42-22-9-3-10-23-42)63(48)65(50)70(58)61(46)47/h1-39H
InChIKeyPJNCAPFESRMTLD-UHFFFAOYSA-N
MW902.07 g/mol
LogP17.65
Rot. Bonds5

About 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

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 (PubChem CID 167343569) has the molecular formula C66H39N5 and a molecular weight of 902.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID167343569
Molecular FormulaC66H39N5
Molecular Weight902.07 g/mol
Exact Mass901.32
IUPAC NameN,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
SMILESc1ccc(N(c2ccccc2)c2ccc3c4cc5c(cc4n4c3c2c2ccc3c6ccccc6n(-c6ccccc6)c3c24)c2cccc3c4ccc6c7ccccc7n(-c7ccccc7)c6c4n5c23)cc1
InChIInChI=1S/C66H39N5/c1-5-18-40(19-6-1)67(41-20-7-2-8-21-41)57-37-36-51-54-39-58-53(38-59(54)71-62(51)60(57)52-35-34-49-45-27-14-16-31-56(45)69(64(49)66(52)71)43-24-11-4-12-25-43)47-29-17-28-46-50-33-32-48-44-26-13-15-30-55(44)68(42-22-9-3-10-23-42)63(48)65(50)70(58)61(46)47/h1-39H
InChIKeyPJNCAPFESRMTLD-UHFFFAOYSA-N
XLogP17.65
TPSA21.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.07
LogP ≤ 517.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
7,22-difluoro-13-N,13-N,28-N,28-N-tetraphenyl-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 167343421
13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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;10-N,10-N,25-N,25-N,3,18-hexakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;13-N,13-N,28-N,28-N-tetraphenyl-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;3,16,25,38-tetraphenyl-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(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene
CID 163630567
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
13-N,28-N-diphenyl-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
CID 138506964
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
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
7,8,9,10,22,23,24,25-octamethyl-13-N,13-N,28-N,28-N-tetraphenyl-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 167343497
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
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
10-N,25-N-diphenyl-10-N,25-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
CID 138746120

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2ccc3c4cc5c(cc4n4c3c2c2ccc3c6ccccc6n(-c6ccccc6)c3c24)c2cccc3c4ccc6c7ccccc7n(-c7ccccc7)c6c4n5c23)cc1.
What is the InChIKey of 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?
The InChIKey is PJNCAPFESRMTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39N5/c1-5-18-40(19-6-1)67(41-20-7-2-8-21-41)57-37-36-51-54-39-58-53(38-59(54)71-62(51)60(57)52-35-34-49-45-27-14-16-31-56(45)69(64(49)66(52)71)43-24-11-4-12-25-43)47-29-17-28-46-50-33-32-48-44-26-13-15-30-55(44)68(42-22-9-3-10-23-42)63(48)65(50)70(58)61(46)47/h1-39H.
What are the key properties of 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?
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 has a molecular weight of 902.07 g/mol, XLogP of 17.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167343569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).