14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine

C64H52N2O4 — CID 134561116

IUPAC14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine
SMILESCc1ccccc1N(c1ccc(C(C)(C)C)cc1)c1cc2oc3cc4c(cc3c2c2c1oc1ccccc12)oc1cc(N(c2ccc(C(C)(C)C)cc2)c2ccccc2C)c2oc3ccccc3c2c14
InChIInChI=1S/C64H52N2O4/c1-37-17-9-13-21-47(37)65(41-29-25-39(26-30-41)63(3,4)5)49-35-55-57(59-43-19-11-15-23-51(43)69-61(49)59)45-33-54-46(34-53(45)67-55)58-56(68-54)36-50(62-60(58)44-20-12-16-24-52(44)70-62)66(48-22-14-10-18-38(48)2)42-31-27-40(28-32-42)64(6,7)8/h9-36H,1-8H3
InChIKeyHYQKDFZOMAVZKS-UHFFFAOYSA-N
MW913.13 g/mol
LogP19.44
Rot. Bonds6

About 14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine

14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine (PubChem CID 134561116) has the molecular formula C64H52N2O4 and a molecular weight of 913.13 g/mol. Its IUPAC name is 14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine.

Molecular Properties

Compound Name14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine
PubChem CID134561116
Molecular FormulaC64H52N2O4
Molecular Weight913.13 g/mol
Exact Mass912.39
IUPAC Name14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine
SMILESCc1ccccc1N(c1ccc(C(C)(C)C)cc1)c1cc2oc3cc4c(cc3c2c2c1oc1ccccc12)oc1cc(N(c2ccc(C(C)(C)C)cc2)c2ccccc2C)c2oc3ccccc3c2c14
InChIInChI=1S/C64H52N2O4/c1-37-17-9-13-21-47(37)65(41-29-25-39(26-30-41)63(3,4)5)49-35-55-57(59-43-19-11-15-23-51(43)69-61(49)59)45-33-54-46(34-53(45)67-55)58-56(68-54)36-50(62-60(58)44-20-12-16-24-52(44)70-62)66(48-22-14-10-18-38(48)2)42-31-27-40(28-32-42)64(6,7)8/h9-36H,1-8H3
InChIKeyHYQKDFZOMAVZKS-UHFFFAOYSA-N
XLogP19.44
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.13
LogP ≤ 519.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine
CID 134561114
11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine
CID 138651102
2-tert-butyl-9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(2-methylphenyl)-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(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360289
6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-6,12-diamine
CID 138651057
6-N,6-N,31-N,31-N-tetrakis(4-tert-butylphenyl)-3,3,34,34-tetramethyl-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4,6,9,11,13,15,18,21,23,25,27,30,32-pentadecaene-6,31-diamine;3,3,34,34-tetramethyl-6-N,31-N-bis(2-methylphenyl)-6-N,31-N-diphenyl-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4,6,9,11,13,15,18,21,23,25,27,30,32-pentadecaene-6,31-diamine;17,17,34,34-tetramethyl-14-N,14-N,31-N,31-N-tetrakis(2-methylphenyl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine;17,17,34,34-tetramethyl-14-N,14-N,31-N,31-N-tetraphenyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine
CID 157176243
7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine
CID 158493621
12-N,18-N-bis(4-tert-butylphenyl)-12-N,18-N-bis(2-methylphenyl)spiro[10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-15,14'-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene]-12,18-diamine
CID 146209919
5-N,5-N,9-N,9-N-tetrakis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 130387463
12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine
CID 148769507
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;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-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;8-N,8-N,23-N,23-N-tetrakis(2-methylphenyl)-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;8-N,8-N,23-N,23-N-tetrakis(4-methylphenyl)-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 161450698
12-N,22-N-bis(4-tert-butylphenyl)-12-N,22-N-di(dibenzofuran-4-yl)-4,16,30-trioxaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.023,31.024,29]hentriaconta-1(31),2,5,7,9,11,13,15(19),17,20,22,24,26,28-tetradecaene-12,22-diamine
CID 163892930
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 14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine?
The IUPAC name of 14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine (CID 134561116) is 14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine.
What is the SMILES notation for 14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine?
The canonical SMILES for 14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine is Cc1ccccc1N(c1ccc(C(C)(C)C)cc1)c1cc2oc3cc4c(cc3c2c2c1oc1ccccc12)oc1cc(N(c2ccc(C(C)(C)C)cc2)c2ccccc2C)c2oc3ccccc3c2c14.
What is the InChIKey of 14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine?
The InChIKey is HYQKDFZOMAVZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N2O4/c1-37-17-9-13-21-47(37)65(41-29-25-39(26-30-41)63(3,4)5)49-35-55-57(59-43-19-11-15-23-51(43)69-61(49)59)45-33-54-46(34-53(45)67-55)58-56(68-54)36-50(62-60(58)44-20-12-16-24-52(44)70-62)66(48-22-14-10-18-38(48)2)42-31-27-40(28-32-42)64(6,7)8/h9-36H,1-8H3.
What are the key properties of 14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine?
14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine has a molecular weight of 913.13 g/mol, XLogP of 19.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine is sourced from PubChem (CID 134561116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).