14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene

C66H50N2 — CID 164772359

IUPAC14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene
SMILESCC(C)(C)c1ccc2c(c1)c1c(-c3ccc4ccccc4c3)c3c(c(-c4ccc5ccccc5c4)c1n2-c1ccc2ccccc2c1)c1cc(C(C)(C)C)cc2c4cc5ccccc5cc4n3c21
InChIInChI=1S/C66H50N2/c1-65(2,3)49-28-30-56-54(36-49)60-58(47-25-23-39-15-7-10-18-42(39)31-47)64-61(55-38-50(66(4,5)6)37-53-52-34-45-21-13-14-22-46(45)35-57(52)68(64)62(53)55)59(48-26-24-40-16-8-11-19-43(40)32-48)63(60)67(56)51-29-27-41-17-9-12-20-44(41)33-51/h7-38H,1-6H3
InChIKeyNCBDHXGRMUZHNF-UHFFFAOYSA-N
MW871.14 g/mol
LogP18.48
Rot. Bonds3

About 14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene

14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene (PubChem CID 164772359) has the molecular formula C66H50N2 and a molecular weight of 871.14 g/mol. Its IUPAC name is 14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene.

Molecular Properties

Compound Name14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene
PubChem CID164772359
Molecular FormulaC66H50N2
Molecular Weight871.14 g/mol
Exact Mass870.40
IUPAC Name14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene
SMILESCC(C)(C)c1ccc2c(c1)c1c(-c3ccc4ccccc4c3)c3c(c(-c4ccc5ccccc5c4)c1n2-c1ccc2ccccc2c1)c1cc(C(C)(C)C)cc2c4cc5ccccc5cc4n3c21
InChIInChI=1S/C66H50N2/c1-65(2,3)49-28-30-56-54(36-49)60-58(47-25-23-39-15-7-10-18-42(39)31-47)64-61(55-38-50(66(4,5)6)37-53-52-34-45-21-13-14-22-46(45)35-57(52)68(64)62(53)55)59(48-26-24-40-16-8-11-19-43(40)32-48)63(60)67(56)51-29-27-41-17-9-12-20-44(41)33-51/h7-38H,1-6H3
InChIKeyNCBDHXGRMUZHNF-UHFFFAOYSA-N
XLogP18.48
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.14
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene with MolForge

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Related Compounds

32,37,47-tritert-butyl-28,43-diphenyl-26,41-diazatridecacyclo[24.22.1.130,34.02,25.04,23.05,10.011,16.017,22.027,44.029,42.035,40.045,49.041,50]pentaconta-1(49),2(25),3,5,7,9,11,13,15,17,19,21,23,27(44),28,30,32,34(50),35(40),36,38,42,45,47-tetracosaene
CID 170211202
6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.011,16.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9,11,13,15,17,21,25,27,29,31,33,35(39),36-nonadecaene
CID 169056340
5,24-bis(4-tert-butylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10,12,14,16(40),17,19,21,23,26,29,31,33,35(39),36-nonadecaene;13,18,32,37-tetratert-butyl-5,24-bis(4-tert-butylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetratert-butyl-5,24-dinaphthalen-2-yl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene
CID 159097162
9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.032,37.016,40]tetraconta-1(38),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31(39),32,34,36-nonadecaene
CID 169055845
9-[9-(4-tert-butylphenyl)-6-carbazol-9-yl-10-naphthalen-2-ylanthracen-2-yl]carbazole
CID 59220991
5-tert-butyl-1-[6-[6-[6-(5-tert-butyl-2,3-dimethylindol-1-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]-2,3-dimethylindole
CID 138579833
14-tert-butyl-6,22-di(carbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-tert-butyl-6-N,6-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-tert-butyl-6-N,6-N,22-N,22-N-tetraphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine
CID 158850592
9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(30),22,24,26,28,31,33,35,37-nonadecaene
CID 169056763
6,37-ditert-butyl-17-(9-phenylcarbazol-3-yl)-19,24-diazaundecacyclo[22.14.1.14,8.02,23.03,20.09,18.010,15.025,34.027,32.035,39.019,40]tetraconta-1(38),2(23),3(20),4,6,8(40),9(18),10,12,14,16,21,25,27,29,31,33,35(39),36-nonadecaene
CID 169056082
17,29-bis(4-tert-butylphenyl)-3-phenyl-3,23-diazanonacyclo[21.10.1.02,10.04,9.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1,4,6,8,10,12(34),13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene
CID 176726621
6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene
CID 169055842
9-(4-benzo[b]triphenylen-9-ylphenyl)-3,6-ditert-butylcarbazole
CID 126633197

Frequently Asked Questions

What is the IUPAC name of 14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene?
The IUPAC name of 14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene (CID 164772359) is 14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene.
What is the SMILES notation for 14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene?
The canonical SMILES for 14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene is CC(C)(C)c1ccc2c(c1)c1c(-c3ccc4ccccc4c3)c3c(c(-c4ccc5ccccc5c4)c1n2-c1ccc2ccccc2c1)c1cc(C(C)(C)C)cc2c4cc5ccccc5cc4n3c21.
What is the InChIKey of 14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene?
The InChIKey is NCBDHXGRMUZHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N2/c1-65(2,3)49-28-30-56-54(36-49)60-58(47-25-23-39-15-7-10-18-42(39)31-47)64-61(55-38-50(66(4,5)6)37-53-52-34-45-21-13-14-22-46(45)35-57(52)68(64)62(53)55)59(48-26-24-40-16-8-11-19-43(40)32-48)63(60)67(56)51-29-27-41-17-9-12-20-44(41)33-51/h7-38H,1-6H3.
What are the key properties of 14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene?
14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene has a molecular weight of 871.14 g/mol, XLogP of 18.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene is sourced from PubChem (CID 164772359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).