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

C100H68N2O2 — CID 134561240

About 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

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 (PubChem CID 134561240) has the molecular formula C100H68N2O2 and a molecular weight of 1329.66 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 134561240
• Molecular Formula: C100H68N2O2
• Molecular Weight: 1329.66 g/mol
• Exact Mass: 1328.53
• IUPAC Name: 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
• SMILES: CC1(C)c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)cc3)c3oc4ccccc4c3c2-c2ccc3c(c21)C(C)(C)c1cc(N(c2ccc(-c4cccc5ccccc45)cc2)c2ccc(-c4cccc5ccccc45)cc2)c2oc4ccccc4c2c1-3
• InChI: InChI=1S/C100H68N2O2/c1-99(2)85-59-87(101(69-49-41-65(42-50-69)77-35-17-25-61-21-5-9-29-73(61)77)70-51-43-66(44-52-70)78-36-18-26-62-22-6-10-30-74(62)78)97-93(81-33-13-15-39-89(81)103-97)91(85)83-57-58-84-92-86(100(3,4)96(84)95(83)99)60-88(98-94(92)82-34-14-16-40-90(82)104-98)102(71-53-45-67(46-54-71)79-37-19-27-63-23-7-11-31-75(63)79)72-55-47-68(48-56-72)80-38-20-28-64-24-8-12-32-76(64)80/h5-60H,1-4H3
• InChIKey: DXECAKXHYKHBRG-UHFFFAOYSA-N
• XLogP: 28.32
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1329.66
LogP ≤ 5	28.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1(C)c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)cc3)c3oc4ccccc4c3c2-c2ccc3c(c21)C(C)(C)c1cc(N(c2ccc(-c4cccc5ccccc45)cc2)c2ccc(-c4cccc5ccccc45)cc2)c2oc4ccccc4c2c1-3.

What is the InChIKey of 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?

The InChIKey is DXECAKXHYKHBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H68N2O2/c1-99(2)85-59-87(101(69-49-41-65(42-50-69)77-35-17-25-61-21-5-9-29-73(61)77)70-51-43-66(44-52-70)78-36-18-26-62-22-6-10-30-74(62)78)97-93(81-33-13-15-39-89(81)103-97)91(85)83-57-58-84-92-86(100(3,4)96(84)95(83)99)60-88(98-94(92)82-34-14-16-40-90(82)104-98)102(71-53-45-67(46-54-71)79-37-19-27-63-23-7-11-31-75(63)79)72-55-47-68(48-56-72)80-38-20-28-64-24-8-12-32-76(64)80/h5-60H,1-4H3.

What are the key properties of 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?

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 has a molecular weight of 1329.66 g/mol, XLogP of 28.32, 10 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,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 is sourced from PubChem (CID 134561240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).