19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-(4-methylphenyl)-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-phenyl-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-[4-(trideuteriomethyl)phenyl]-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene

C176H151N9O3+6 — CID 163672064

IUPAC19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-(4-methylphenyl)-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-phenyl-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-[4-(trideuteriomethyl)phenyl]-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene
SMILESCc1cc(-n2c3[n+]4c5c(cccc52)-c2cc(C(C)(C)C)cc5c2C4(Oc2ccccc2-3)[n+]2ccc(-c3ccccc3)cc2-5)c(-c2ccc(C(C)(C)C)cc2)cc1-c1ccccc1.Cc1ccc(-c2cc[n+]3c(c2)-c2cc(C(C)(C)C)cc4c2C32Oc3ccccc3-c3n(-c5cc(C)c(-c6ccccc6)cc5-c5ccc(C(C)(C)C)cc5)c5cccc-4c5[n+]32)cc1.[2H]C([2H])([2H])c1ccc(-c2cc[n+]3c(c2)-c2cc(C(C)(C)C)cc4c2C32Oc3ccccc3-c3n(-c5cc(C)c(-c6ccccc6)cc5-c5ccc(C(C)(C)C)cc5)c5cccc-4c5[n+]32)cc1
InChIInChI=1S/2C59H51N3O.C58H49N3O/c2*1-36-21-23-38(24-22-36)41-29-30-60-51(32-41)49-34-43(58(6,7)8)33-48-44-18-14-19-50-55(44)62-56(45-17-12-13-20-53(45)63-59(60,62)54(48)49)61(50)52-31-37(2)46(39-15-10-9-11-16-39)35-47(52)40-25-27-42(28-26-40)57(3,4)5;1-36-31-51(46(35-45(36)38-19-12-9-13-20-38)39-25-27-41(28-26-39)56(2,3)4)60-49-23-16-22-43-47-33-42(57(5,6)7)34-48-50-32-40(37-17-10-8-11-18-37)29-30-59(50)58(53(47)48)61(54(43)49)55(60)44-21-14-15-24-52(44)62-58/h2*9-35H,1-8H3;8-35H,1-7H3/q3*+2/i1D3;;
InChIKeyBDMFOZUMMBCXJM-GXXYEPOPSA-N
MW2443.22 g/mol
LogP40.63
Rot. Bonds13

About 19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-(4-methylphenyl)-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-phenyl-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-[4-(trideuteriomethyl)phenyl]-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene

19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-(4-methylphenyl)-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-phenyl-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-[4-(trideuteriomethyl)phenyl]-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene (PubChem CID 163672064) has the molecular formula C176H151N9O3+6 and a molecular weight of 2443.22 g/mol. Its IUPAC name is 19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-(4-methylphenyl)-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-phenyl-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-[4-(trideuteriomethyl)phenyl]-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene.

Molecular Properties

Compound Name19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-(4-methylphenyl)-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-phenyl-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-[4-(trideuteriomethyl)phenyl]-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene
PubChem CID163672064
Molecular FormulaC176H151N9O3+6
Molecular Weight2443.22 g/mol
Exact Mass2441.21
IUPAC Name19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-(4-methylphenyl)-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-phenyl-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-[4-(trideuteriomethyl)phenyl]-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene
SMILESCc1cc(-n2c3[n+]4c5c(cccc52)-c2cc(C(C)(C)C)cc5c2C4(Oc2ccccc2-3)[n+]2ccc(-c3ccccc3)cc2-5)c(-c2ccc(C(C)(C)C)cc2)cc1-c1ccccc1.Cc1ccc(-c2cc[n+]3c(c2)-c2cc(C(C)(C)C)cc4c2C32Oc3ccccc3-c3n(-c5cc(C)c(-c6ccccc6)cc5-c5ccc(C(C)(C)C)cc5)c5cccc-4c5[n+]32)cc1.[2H]C([2H])([2H])c1ccc(-c2cc[n+]3c(c2)-c2cc(C(C)(C)C)cc4c2C32Oc3ccccc3-c3n(-c5cc(C)c(-c6ccccc6)cc5-c5ccc(C(C)(C)C)cc5)c5cccc-4c5[n+]32)cc1
InChIInChI=1S/2C59H51N3O.C58H49N3O/c2*1-36-21-23-38(24-22-36)41-29-30-60-51(32-41)49-34-43(58(6,7)8)33-48-44-18-14-19-50-55(44)62-56(45-17-12-13-20-53(45)63-59(60,62)54(48)49)61(50)52-31-37(2)46(39-15-10-9-11-16-39)35-47(52)40-25-27-42(28-26-40)57(3,4)5;1-36-31-51(46(35-45(36)38-19-12-9-13-20-38)39-25-27-41(28-26-39)56(2,3)4)60-49-23-16-22-43-47-33-42(57(5,6)7)34-48-50-32-40(37-17-10-8-11-18-37)29-30-59(50)58(53(47)48)61(54(43)49)55(60)44-21-14-15-24-52(44)62-58/h2*9-35H,1-8H3;8-35H,1-7H3/q3*+2/i1D3;;
InChIKeyBDMFOZUMMBCXJM-GXXYEPOPSA-N
XLogP40.63
TPSA65.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002443.22
LogP ≤ 540.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-(4-methylphenyl)-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-phenyl-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-[4-(trideuteriomethyl)phenyl]-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-(4-methylphenyl)-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-phenyl-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-[4-(trideuteriomethyl)phenyl]-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene?
The IUPAC name of 19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-(4-methylphenyl)-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-phenyl-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-[4-(trideuteriomethyl)phenyl]-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene (CID 163672064) is 19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-(4-methylphenyl)-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-phenyl-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-[4-(trideuteriomethyl)phenyl]-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene.
What is the SMILES notation for 19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-(4-methylphenyl)-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-phenyl-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-[4-(trideuteriomethyl)phenyl]-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene?
The canonical SMILES for 19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-(4-methylphenyl)-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-phenyl-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-[4-(trideuteriomethyl)phenyl]-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene is Cc1cc(-n2c3[n+]4c5c(cccc52)-c2cc(C(C)(C)C)cc5c2C4(Oc2ccccc2-3)[n+]2ccc(-c3ccccc3)cc2-5)c(-c2ccc(C(C)(C)C)cc2)cc1-c1ccccc1.Cc1ccc(-c2cc[n+]3c(c2)-c2cc(C(C)(C)C)cc4c2C32Oc3ccccc3-c3n(-c5cc(C)c(-c6ccccc6)cc5-c5ccc(C(C)(C)C)cc5)c5cccc-4c5[n+]32)cc1.[2H]C([2H])([2H])c1ccc(-c2cc[n+]3c(c2)-c2cc(C(C)(C)C)cc4c2C32Oc3ccccc3-c3n(-c5cc(C)c(-c6ccccc6)cc5-c5ccc(C(C)(C)C)cc5)c5cccc-4c5[n+]32)cc1.
What is the InChIKey of 19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-(4-methylphenyl)-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-phenyl-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-[4-(trideuteriomethyl)phenyl]-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene?
The InChIKey is BDMFOZUMMBCXJM-GXXYEPOPSA-N. The full InChI is InChI=1S/2C59H51N3O.C58H49N3O/c2*1-36-21-23-38(24-22-36)41-29-30-60-51(32-41)49-34-43(58(6,7)8)33-48-44-18-14-19-50-55(44)62-56(45-17-12-13-20-53(45)63-59(60,62)54(48)49)61(50)52-31-37(2)46(39-15-10-9-11-16-39)35-47(52)40-25-27-42(28-26-40)57(3,4)5;1-36-31-51(46(35-45(36)38-19-12-9-13-20-38)39-25-27-41(28-26-39)56(2,3)4)60-49-23-16-22-43-47-33-42(57(5,6)7)34-48-50-32-40(37-17-10-8-11-18-37)29-30-59(50)58(53(47)48)61(54(43)49)55(60)44-21-14-15-24-52(44)62-58/h2*9-35H,1-8H3;8-35H,1-7H3/q3*+2/i1D3;;.
What are the key properties of 19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-(4-methylphenyl)-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-phenyl-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-[4-(trideuteriomethyl)phenyl]-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene?
19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-(4-methylphenyl)-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-phenyl-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-[4-(trideuteriomethyl)phenyl]-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene has a molecular weight of 2443.22 g/mol, XLogP of 40.63, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-(4-methylphenyl)-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-phenyl-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene;19-tert-butyl-29-[2-(4-tert-butylphenyl)-5-methyl-4-phenylphenyl]-24-[4-(trideuteriomethyl)phenyl]-2-oxa-29-aza-10,27-diazoniaoctacyclo[15.10.1.19,12.01,10.03,8.011,16.021,28.022,27]nonacosa-3,5,7,9,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene is sourced from PubChem (CID 163672064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).