14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine

C66H56N2O2 — CID 134561344

IUPAC14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine
SMILESCc1ccc(N(c2ccccc2C)c2cc3c(c4oc5ccccc5c24)-c2cc4c(cc2C3(C)C)-c2c(cc(N(c3ccccc3C)c3ccc(C)cc3C)c3c2oc2ccccc23)C4(C)C)c(C)c1
InChIInChI=1S/C66H56N2O2/c1-37-27-29-53(41(5)31-37)67(51-23-15-11-19-39(51)3)55-35-49-59(63-61(55)43-21-13-17-25-57(43)69-63)45-33-48-46(34-47(45)65(49,7)8)60-50(66(48,9)10)36-56(62-44-22-14-18-26-58(44)70-64(60)62)68(52-24-16-12-20-40(52)4)54-30-28-38(2)32-42(54)6/h11-36H,1-10H3
InChIKeyHIHWGBVMKCYOOT-UHFFFAOYSA-N
MW909.19 g/mol
LogP18.89
Rot. Bonds6

About 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine

14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine (PubChem CID 134561344) has the molecular formula C66H56N2O2 and a molecular weight of 909.19 g/mol. Its IUPAC name is 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine.

Molecular Properties

Compound Name14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine
PubChem CID134561344
Molecular FormulaC66H56N2O2
Molecular Weight909.19 g/mol
Exact Mass908.43
IUPAC Name14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine
SMILESCc1ccc(N(c2ccccc2C)c2cc3c(c4oc5ccccc5c24)-c2cc4c(cc2C3(C)C)-c2c(cc(N(c3ccccc3C)c3ccc(C)cc3C)c3c2oc2ccccc23)C4(C)C)c(C)c1
InChIInChI=1S/C66H56N2O2/c1-37-27-29-53(41(5)31-37)67(51-23-15-11-19-39(51)3)55-35-49-59(63-61(55)43-21-13-17-25-57(43)69-63)45-33-48-46(34-47(45)65(49,7)8)60-50(66(48,9)10)36-56(62-44-22-14-18-26-58(44)70-64(60)62)68(52-24-16-12-20-40(52)4)54-30-28-38(2)32-42(54)6/h11-36H,1-10H3
InChIKeyHIHWGBVMKCYOOT-UHFFFAOYSA-N
XLogP18.89
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.19
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine with MolForge

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Related Compounds

14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine
CID 155420617
6-N,6-N,31-N,31-N-tetrakis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4,6,8,10,12,15,18,21,23,25,27,30,32-pentadecaene-6,31-diamine
CID 134561184
14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine
CID 155420616
6-N,6-N,31-N,31-N-tetrakis(2,4-dimethylphenyl)-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
CID 134561481
3,3,34,34-tetramethyl-6-N,31-N-bis(2-methylphenyl)-6-N,31-N-diphenyl-14,23-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4,6,8,10,12,15,18,21,24,26,28,30,32-pentadecaene-6,31-diamine
CID 134561328
N-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine
CID 155088734
17,17,34,34-tetramethyl-14-N,31-N-diphenyl-14-N,31-N-bis(2-phenylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine
CID 134561249
14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine
CID 153440164
5-N,5-N,9-N,9-N-tetrakis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 146523096
15-N,24-N-bis(4-tert-butylphenyl)-15-N,24-N-bis(2,4-dimethylphenyl)-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine
CID 153339815
N-[14,14-dimethyl-11-(3-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-(2,4-dimethylphenyl)-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
CID 164801621
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

Frequently Asked Questions

What is the IUPAC name of 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine?
The IUPAC name of 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine (CID 134561344) is 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine.
What is the SMILES notation for 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine?
The canonical SMILES for 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine is Cc1ccc(N(c2ccccc2C)c2cc3c(c4oc5ccccc5c24)-c2cc4c(cc2C3(C)C)-c2c(cc(N(c3ccccc3C)c3ccc(C)cc3C)c3c2oc2ccccc23)C4(C)C)c(C)c1.
What is the InChIKey of 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine?
The InChIKey is HIHWGBVMKCYOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H56N2O2/c1-37-27-29-53(41(5)31-37)67(51-23-15-11-19-39(51)3)55-35-49-59(63-61(55)43-21-13-17-25-57(43)69-63)45-33-48-46(34-47(45)65(49,7)8)60-50(66(48,9)10)36-56(62-44-22-14-18-26-58(44)70-64(60)62)68(52-24-16-12-20-40(52)4)54-30-28-38(2)32-42(54)6/h11-36H,1-10H3.
What are the key properties of 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine?
14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine has a molecular weight of 909.19 g/mol, XLogP of 18.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine is sourced from PubChem (CID 134561344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).