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

C62H48N2O2 — CID 134561328

IUPAC3,3,34,34-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
SMILESCc1ccccc1N(c1ccccc1)c1cc2c(c3oc4ccccc4c13)-c1ccc3c(c1C2(C)C)C(C)(C)c1cc(N(c2ccccc2)c2ccccc2C)c2c(oc4ccccc42)c1-3
InChIInChI=1S/C62H48N2O2/c1-37-21-13-17-29-47(37)63(39-23-9-7-10-24-39)49-35-45-53(59-55(49)41-27-15-19-31-51(41)65-59)43-33-34-44-54-46(62(5,6)58(44)57(43)61(45,3)4)36-50(56-42-28-16-20-32-52(42)66-60(54)56)64(40-25-11-8-12-26-40)48-30-18-14-22-38(48)2/h7-36H,1-6H3
InChIKeyPINWTDWXFZBONY-UHFFFAOYSA-N
MW853.08 g/mol
LogP17.65
Rot. Bonds6

About 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

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 (PubChem CID 134561328) has the molecular formula C62H48N2O2 and a molecular weight of 853.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,3,34,34-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
PubChem CID134561328
Molecular FormulaC62H48N2O2
Molecular Weight853.08 g/mol
Exact Mass852.37
IUPAC Name3,3,34,34-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
SMILESCc1ccccc1N(c1ccccc1)c1cc2c(c3oc4ccccc4c13)-c1ccc3c(c1C2(C)C)C(C)(C)c1cc(N(c2ccccc2)c2ccccc2C)c2c(oc4ccccc42)c1-3
InChIInChI=1S/C62H48N2O2/c1-37-21-13-17-29-47(37)63(39-23-9-7-10-24-39)49-35-45-53(59-55(49)41-27-15-19-31-51(41)65-59)43-33-34-44-54-46(62(5,6)58(44)57(43)61(45,3)4)36-50(56-42-28-16-20-32-52(42)66-60(54)56)64(40-25-11-8-12-26-40)48-30-18-14-22-38(48)2/h7-36H,1-6H3
InChIKeyPINWTDWXFZBONY-UHFFFAOYSA-N
XLogP17.65
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.08
LogP ≤ 517.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

3,3,34,34-tetramethyl-6-N,31-N-diphenyl-6-N,31-N-bis(2-phenylphenyl)-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 134561434
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
3,3,34,34-tetramethyl-6-N,6-N,31-N,31-N-tetraphenyl-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 134561487
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
6-N,6-N,31-N,31-N-tetrakis(4-tert-butylphenyl)-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 134561474
12-N,22-N-di(dibenzofuran-4-yl)-15,15,19,19-tetramethyl-12-N,22-N-diphenyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,22-diamine
CID 142355705
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)-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
3,3,34,34-tetramethyl-6-N,31-N-bis(2-methylphenyl)-6-N,31-N-diphenyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene-6,31-diamine
CID 153440171
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
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
12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 146526608

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1N(c1ccccc1)c1cc2c(c3oc4ccccc4c13)-c1ccc3c(c1C2(C)C)C(C)(C)c1cc(N(c2ccccc2)c2ccccc2C)c2c(oc4ccccc42)c1-3.
What is the InChIKey of 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?
The InChIKey is PINWTDWXFZBONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N2O2/c1-37-21-13-17-29-47(37)63(39-23-9-7-10-24-39)49-35-45-53(59-55(49)41-27-15-19-31-51(41)65-59)43-33-34-44-54-46(62(5,6)58(44)57(43)61(45,3)4)36-50(56-42-28-16-20-32-52(42)66-60(54)56)64(40-25-11-8-12-26-40)48-30-18-14-22-38(48)2/h7-36H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 853.08 g/mol, XLogP of 17.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134561328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).