4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-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-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-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

C104H99Cl2N3O4 — CID 160571824

IUPAC4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-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-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-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
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)oc2cc4cc5oc6cc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)ccc6c5cc4cc23)cc1.CC(C)(C)c1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.Clc1ccc2c(c1)oc1cc3cc4oc5cc(Cl)ccc5c4cc3cc12
InChIInChI=1S/C62H62N2O2.C22H10Cl2O2.C20H27N/c1-59(2,3)41-13-21-45(22-14-41)63(46-23-15-42(16-24-46)60(4,5)6)49-29-31-51-53-33-39-34-54-52-32-30-50(38-58(52)66-56(54)36-40(39)35-55(53)65-57(51)37-49)64(47-25-17-43(18-26-47)61(7,8)9)48-27-19-44(20-28-48)62(10,11)12;23-13-1-3-15-17-5-11-6-18-16-4-2-14(24)10-22(16)26-20(18)8-12(11)7-19(17)25-21(15)9-13;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6/h13-38H,1-12H3;1-10H;7-14,21H,1-6H3
InChIKeyRAQMTFZCQKJSIQ-UHFFFAOYSA-N
MW1525.86 g/mol
LogP32.74
Rot. Bonds8

About 4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-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-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-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

4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-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-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-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 (PubChem CID 160571824) has the molecular formula C104H99Cl2N3O4 and a molecular weight of 1525.86 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-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-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-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.

Molecular Properties

Compound Name4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-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-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-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
PubChem CID160571824
Molecular FormulaC104H99Cl2N3O4
Molecular Weight1525.86 g/mol
Exact Mass1523.70
IUPAC Name4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-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-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-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
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)oc2cc4cc5oc6cc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)ccc6c5cc4cc23)cc1.CC(C)(C)c1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.Clc1ccc2c(c1)oc1cc3cc4oc5cc(Cl)ccc5c4cc3cc12
InChIInChI=1S/C62H62N2O2.C22H10Cl2O2.C20H27N/c1-59(2,3)41-13-21-45(22-14-41)63(46-23-15-42(16-24-46)60(4,5)6)49-29-31-51-53-33-39-34-54-52-32-30-50(38-58(52)66-56(54)36-40(39)35-55(53)65-57(51)37-49)64(47-25-17-43(18-26-47)61(7,8)9)48-27-19-44(20-28-48)62(10,11)12;23-13-1-3-15-17-5-11-6-18-16-4-2-14(24)10-22(16)26-20(18)8-12(11)7-19(17)25-21(15)9-13;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6/h13-38H,1-12H3;1-10H;7-14,21H,1-6H3
InChIKeyRAQMTFZCQKJSIQ-UHFFFAOYSA-N
XLogP32.74
TPSA71.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001525.86
LogP ≤ 532.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-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-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-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 with MolForge

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Related Compounds

8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-bis[4-(4-phenylphenyl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine;N-(4-tert-butylphenyl)-4-(4-phenylphenyl)aniline;8,22-dichloro-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene
CID 157197058
7-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-7,19-diamine
CID 155007853
7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 146497236
7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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 146666105
8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 146497089
4-tert-butyl-N-(4-tert-butylphenyl)aniline;(23-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-9-yl) trifluoromethanesulfonate;9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 159352216
10-N,22-N-bis(4-tert-butylphenyl)-10-N,22-N-bis(4-phenylphenyl)-13-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3,5,7(12),8,10,14,16,20(25),21,23,26(30),27-tetradecaene-10,22-diamine
CID 164840282
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
8-N,23-N,23-N-tris(4-tert-butylphenyl)-15,16-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155644801
21-tert-butyl-10-N,27-N-bis(7-tert-butyldibenzofuran-2-yl)-10-N,27-N-bis(4-fluorophenyl)-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),8,10,15,17,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine
CID 164840308
3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzofuran-3-yl)-4-methylnaphtho[3,2-b][1]benzofuran-3,8-diamine
CID 139574656
5-N,5-N,21-N,21-N-tetrakis(4-tert-butylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene-5,21-diamine
CID 146666142

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-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-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-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?
The IUPAC name of 4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-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-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-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 160571824) is 4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-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-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-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.
What is the SMILES notation for 4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-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-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-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?
The canonical SMILES for 4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-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-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-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 is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)oc2cc4cc5oc6cc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)ccc6c5cc4cc23)cc1.CC(C)(C)c1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.Clc1ccc2c(c1)oc1cc3cc4oc5cc(Cl)ccc5c4cc3cc12.
What is the InChIKey of 4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-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-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-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?
The InChIKey is RAQMTFZCQKJSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H62N2O2.C22H10Cl2O2.C20H27N/c1-59(2,3)41-13-21-45(22-14-41)63(46-23-15-42(16-24-46)60(4,5)6)49-29-31-51-53-33-39-34-54-52-32-30-50(38-58(52)66-56(54)36-40(39)35-55(53)65-57(51)37-49)64(47-25-17-43(18-26-47)61(7,8)9)48-27-19-44(20-28-48)62(10,11)12;23-13-1-3-15-17-5-11-6-18-16-4-2-14(24)10-22(16)26-20(18)8-12(11)7-19(17)25-21(15)9-13;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6/h13-38H,1-12H3;1-10H;7-14,21H,1-6H3.
What are the key properties of 4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-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-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-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?
4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-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-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-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 has a molecular weight of 1525.86 g/mol, XLogP of 32.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-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-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-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 is sourced from PubChem (CID 160571824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).