23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine

C74H57N3O — CID 164840340

IUPAC23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine
SMILESCC(C)(C)c1ccc2c(c1)c1c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc3c4c5cc6oc7cc(N(c8ccccc8)c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc7c6cc5ccc4n2c31
InChIInChI=1S/C74H57N3O/c1-72(2,3)45-27-36-64-59(39-45)70-66(76(47-20-12-9-13-21-47)49-29-32-54-52-23-15-17-25-61(52)74(6,7)63(54)41-49)37-34-56-69-57-43-68-58(38-44(57)26-35-65(69)77(64)71(56)70)55-33-30-50(42-67(55)78-68)75(46-18-10-8-11-19-46)48-28-31-53-51-22-14-16-24-60(51)73(4,5)62(53)40-48/h8-43H,1-7H3
InChIKeyGKCNBDABUMRRJM-UHFFFAOYSA-N
MW1004.29 g/mol
LogP20.74
Rot. Bonds6

About 23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine

23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine (PubChem CID 164840340) has the molecular formula C74H57N3O and a molecular weight of 1004.29 g/mol. Its IUPAC name is 23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine.

Molecular Properties

Compound Name23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine
PubChem CID164840340
Molecular FormulaC74H57N3O
Molecular Weight1004.29 g/mol
Exact Mass1003.45
IUPAC Name23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine
SMILESCC(C)(C)c1ccc2c(c1)c1c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc3c4c5cc6oc7cc(N(c8ccccc8)c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc7c6cc5ccc4n2c31
InChIInChI=1S/C74H57N3O/c1-72(2,3)45-27-36-64-59(39-45)70-66(76(47-20-12-9-13-21-47)49-29-32-54-52-23-15-17-25-61(52)74(6,7)63(54)41-49)37-34-56-69-57-43-68-58(38-44(57)26-35-65(69)77(64)71(56)70)55-33-30-50(42-67(55)78-68)75(46-18-10-8-11-19-46)48-28-31-53-51-22-14-16-24-60(51)73(4,5)62(53)40-48/h8-43H,1-7H3
InChIKeyGKCNBDABUMRRJM-UHFFFAOYSA-N
XLogP20.74
TPSA24.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.29
LogP ≤ 520.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine with MolForge

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Related Compounds

26-tert-butyl-10-N,22-N-bis(4-tert-butylphenyl)-10-N,22-N-diphenyl-13-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.06,14.07,12.023,30.024,29]triaconta-2,4,6(14),7(12),8,10,15,17,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine
CID 164840283
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
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine
CID 159623488
13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine
CID 139573004
13-N-[3-[7-(N-[28-(N-dibenzofuran-3-ylanilino)-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-pentadecaen-13-yl]anilino)dibenzofuran-3-yl]phenyl]-13-N,28-N-bis(9,9-dimethylfluoren-2-yl)-28-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 146263296
7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303315
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280215
7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 156529558
9,24-ditert-butyl-15-N,15-N,30-N,30-N-tetraphenyl-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-15,30-diamine
CID 167343573
26-tert-butyl-7,7-dimethyl-10-N,10-N,22-N,22-N-tetrakis(3-phenylphenyl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine
CID 164840295
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-8-amine
CID 147619926
10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-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 167105305

Frequently Asked Questions

What is the IUPAC name of 23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine?
The IUPAC name of 23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine (CID 164840340) is 23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine.
What is the SMILES notation for 23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine?
The canonical SMILES for 23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine is CC(C)(C)c1ccc2c(c1)c1c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc3c4c5cc6oc7cc(N(c8ccccc8)c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc7c6cc5ccc4n2c31.
What is the InChIKey of 23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine?
The InChIKey is GKCNBDABUMRRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H57N3O/c1-72(2,3)45-27-36-64-59(39-45)70-66(76(47-20-12-9-13-21-47)49-29-32-54-52-23-15-17-25-61(52)74(6,7)63(54)41-49)37-34-56-69-57-43-68-58(38-44(57)26-35-65(69)77(64)71(56)70)55-33-30-50(42-67(55)78-68)75(46-18-10-8-11-19-46)48-28-31-53-51-22-14-16-24-60(51)73(4,5)62(53)40-48/h8-43H,1-7H3.
What are the key properties of 23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine?
23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine has a molecular weight of 1004.29 g/mol, XLogP of 20.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine is sourced from PubChem (CID 164840340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).