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

C54H33N3 — CID 167105094

IUPACN,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
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)cc4c5c6c7ccc(N(c8ccccc8)c8ccccc8)c8c9ccccc9n(c6ccc5n3c24)c78)cc1
InChIInChI=1S/C54H33N3/c1-5-15-34(16-6-1)36-25-27-46-42(31-36)43-32-37(35-17-7-2-8-18-35)33-44-51-48(56(46)53(43)44)30-29-47-50(51)41-26-28-49(52-40-23-13-14-24-45(40)57(47)54(41)52)55(38-19-9-3-10-20-38)39-21-11-4-12-22-39/h1-33H
InChIKeyOEPAGUTXRAIMRO-UHFFFAOYSA-N
MW723.88 g/mol
LogP14.79
Rot. Bonds5

About 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

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 (PubChem CID 167105094) has the molecular formula C54H33N3 and a molecular weight of 723.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID167105094
Molecular FormulaC54H33N3
Molecular Weight723.88 g/mol
Exact Mass723.27
IUPAC NameN,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
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)cc4c5c6c7ccc(N(c8ccccc8)c8ccccc8)c8c9ccccc9n(c6ccc5n3c24)c78)cc1
InChIInChI=1S/C54H33N3/c1-5-15-34(16-6-1)36-25-27-46-42(31-36)43-32-37(35-17-7-2-8-18-35)33-44-51-48(56(46)53(43)44)30-29-47-50(51)41-26-28-49(52-40-23-13-14-24-45(40)57(47)54(41)52)55(38-19-9-3-10-20-38)39-21-11-4-12-22-39/h1-33H
InChIKeyOEPAGUTXRAIMRO-UHFFFAOYSA-N
XLogP14.79
TPSA12.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.88
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

24-[4-[4-(N-(24,29-diphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11,13,15(32),17,21(26),22,24,27(31),28-pentadecaen-12-yl)anilino)phenyl]phenyl]-N,N,29-triphenyl-4,20-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),5,7,9,11(32),12,14,17,21(26),22,24,27(31),28-pentadecaen-13-amine
CID 167105213
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
N-[4-[4-[4-(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)phenyl]phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 71251507
13-N,28-N-bis(2,4-diphenylphenyl)-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 138506916
13-N,28-N,3,18-tetraphenyl-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 155641619
3-(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)-N-phenyl-N-(4-phenylphenyl)aniline
CID 138747385
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
9,24-bis(4-tert-butylphenyl)-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 167343490
13-N,28-N-bis(3-methylphenyl)-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-bis(4-methylphenyl)-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-bis(3-methyl-5-phenylphenyl)-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;3,30-diphenyl-5,15,32,42-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.09,14.016,21.033,50.036,41.043,48.051,55.022,58.028,57.049,56]octapentaconta-1(54),2,4(29),6(23),7,9,11,13,16,18,20,22(58),24(57),25,27,30,33(50),34,36,38,40,43,45,47,49(56),51(55),52-heptacosaene
CID 159051744
5,10-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 162740169
N-[4-[4-[4-(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)phenyl]phenyl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 123734450
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,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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)cc4c5c6c7ccc(N(c8ccccc8)c8ccccc8)c8c9ccccc9n(c6ccc5n3c24)c78)cc1.
What is the InChIKey of 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?
The InChIKey is OEPAGUTXRAIMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3/c1-5-15-34(16-6-1)36-25-27-46-42(31-36)43-32-37(35-17-7-2-8-18-35)33-44-51-48(56(46)53(43)44)30-29-47-50(51)41-26-28-49(52-40-23-13-14-24-45(40)57(47)54(41)52)55(38-19-9-3-10-20-38)39-21-11-4-12-22-39/h1-33H.
What are the key properties of 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?
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 has a molecular weight of 723.88 g/mol, XLogP of 14.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167105094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).