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

C72H52N2O2 — CID 134561434

IUPAC3,3,34,34-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
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)c3c(oc4ccccc43)c2-c2ccc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccccc2-c2ccccc2)c2oc4ccccc4c2c1-3
InChIInChI=1S/C72H52N2O2/c1-71(2)55-44-60(74(48-31-15-8-16-32-48)58-38-22-18-34-50(58)46-27-11-6-12-28-46)69-66(52-36-20-24-40-62(52)75-69)63(55)53-41-42-54-64-56(72(3,4)68(54)67(53)71)43-59(65-51-35-19-23-39-61(51)76-70(64)65)73(47-29-13-7-14-30-47)57-37-21-17-33-49(57)45-25-9-5-10-26-45/h5-44H,1-4H3
InChIKeyUSVOBKHAUHOQPS-UHFFFAOYSA-N
MW977.22 g/mol
LogP20.37
Rot. Bonds8

About 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

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 (PubChem CID 134561434) has the molecular formula C72H52N2O2 and a molecular weight of 977.22 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,3,34,34-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
PubChem CID134561434
Molecular FormulaC72H52N2O2
Molecular Weight977.22 g/mol
Exact Mass976.40
IUPAC Name3,3,34,34-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
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)c3c(oc4ccccc43)c2-c2ccc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccccc2-c2ccccc2)c2oc4ccccc4c2c1-3
InChIInChI=1S/C72H52N2O2/c1-71(2)55-44-60(74(48-31-15-8-16-32-48)58-38-22-18-34-50(58)46-27-11-6-12-28-46)69-66(52-36-20-24-40-62(52)75-69)63(55)53-41-42-54-64-56(72(3,4)68(54)67(53)71)43-59(65-51-35-19-23-39-61(51)76-70(64)65)73(47-29-13-7-14-30-47)57-37-21-17-33-49(57)45-25-9-5-10-26-45/h5-44H,1-4H3
InChIKeyUSVOBKHAUHOQPS-UHFFFAOYSA-N
XLogP20.37
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.22
LogP ≤ 520.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
14,14-dimethyl-11-N,11-N-diphenyl-17-N-(2-phenylphenyl)-17-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine
CID 164801342
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
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
3,3,34,34-tetramethyl-6-N,6-N,31-N,31-N-tetrakis(4-naphthalen-1-ylphenyl)-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 134561240
3,3,34,34-tetramethyl-6,31-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(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene
CID 134556813
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
11-dibenzofuran-1-yl-N-(11-dibenzofuran-1-yl-14,14-dimethyl-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)-14,14-dimethyl-N-(2-phenylphenyl)-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-amine
CID 142560117
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
14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine
CID 146190290
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)c3c(oc4ccccc43)c2-c2ccc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2ccccc2-c2ccccc2)c2oc4ccccc4c2c1-3.
What is the InChIKey of 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?
The InChIKey is USVOBKHAUHOQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52N2O2/c1-71(2)55-44-60(74(48-31-15-8-16-32-48)58-38-22-18-34-50(58)46-27-11-6-12-28-46)69-66(52-36-20-24-40-62(52)75-69)63(55)53-41-42-54-64-56(72(3,4)68(54)67(53)71)43-59(65-51-35-19-23-39-61(51)76-70(64)65)73(47-29-13-7-14-30-47)57-37-21-17-33-49(57)45-25-9-5-10-26-45/h5-44H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 977.22 g/mol, XLogP of 20.37, 8 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-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 is sourced from PubChem (CID 134561434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).