3,3,34,34-tetramethyl-6-N,31-N-diphenyl-6-N,31-N-bis(2-phenylphenyl)-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

C70H52N2O2Si2 — CID 153440185

About 3,3,34,34-tetramethyl-6-N,31-N-diphenyl-6-N,31-N-bis(2-phenylphenyl)-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

3,3,34,34-tetramethyl-6-N,31-N-diphenyl-6-N,31-N-bis(2-phenylphenyl)-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 (PubChem CID 153440185) has the molecular formula C70H52N2O2Si2 and a molecular weight of 1009.37 g/mol. Its IUPAC name is 3,3,34,34-tetramethyl-6-N,31-N-diphenyl-6-N,31-N-bis(2-phenylphenyl)-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.

Molecular Properties

• Compound Name: 3,3,34,34-tetramethyl-6-N,31-N-diphenyl-6-N,31-N-bis(2-phenylphenyl)-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
• PubChem CID: 153440185
• Molecular Formula: C70H52N2O2Si2
• Molecular Weight: 1009.37 g/mol
• Exact Mass: 1008.36
• IUPAC Name: 3,3,34,34-tetramethyl-6-N,31-N-diphenyl-6-N,31-N-bis(2-phenylphenyl)-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
• SMILES: C[Si]1(C)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)c3c(oc4ccccc43)c2-c2ccc3c(c21)[Si](C)(C)c1cc(N(c2ccccc2)c2ccccc2-c2ccccc2)c2c(oc4ccccc42)c1-3
• InChI: InChI=1S/C70H52N2O2Si2/c1-75(2)61-43-57(71(47-29-13-7-14-30-47)55-37-21-17-33-49(55)45-25-9-5-10-26-45)63-51-35-19-23-39-59(51)73-67(63)65(61)53-41-42-54-66-62(76(3,4)70(54)69(53)75)44-58(64-52-36-20-24-40-60(52)74-68(64)66)72(48-31-15-8-16-32-48)56-38-22-18-34-50(56)46-27-11-6-12-28-46/h5-44H,1-4H3
• InChIKey: MPQAHTYEAYRMAH-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.37
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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)-14,23-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?

The IUPAC name of 3,3,34,34-tetramethyl-6-N,31-N-diphenyl-6-N,31-N-bis(2-phenylphenyl)-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 153440185) is 3,3,34,34-tetramethyl-6-N,31-N-diphenyl-6-N,31-N-bis(2-phenylphenyl)-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.

What is the SMILES notation for 3,3,34,34-tetramethyl-6-N,31-N-diphenyl-6-N,31-N-bis(2-phenylphenyl)-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?

The canonical SMILES for 3,3,34,34-tetramethyl-6-N,31-N-diphenyl-6-N,31-N-bis(2-phenylphenyl)-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 is C[Si]1(C)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)c3c(oc4ccccc43)c2-c2ccc3c(c21)[Si](C)(C)c1cc(N(c2ccccc2)c2ccccc2-c2ccccc2)c2c(oc4ccccc42)c1-3.

What is the InChIKey of 3,3,34,34-tetramethyl-6-N,31-N-diphenyl-6-N,31-N-bis(2-phenylphenyl)-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?

The InChIKey is MPQAHTYEAYRMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H52N2O2Si2/c1-75(2)61-43-57(71(47-29-13-7-14-30-47)55-37-21-17-33-49(55)45-25-9-5-10-26-45)63-51-35-19-23-39-59(51)73-67(63)65(61)53-41-42-54-66-62(76(3,4)70(54)69(53)75)44-58(64-52-36-20-24-40-60(52)74-68(64)66)72(48-31-15-8-16-32-48)56-38-22-18-34-50(56)46-27-11-6-12-28-46/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)-14,23-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?

3,3,34,34-tetramethyl-6-N,31-N-diphenyl-6-N,31-N-bis(2-phenylphenyl)-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 has a molecular weight of 1009.37 g/mol, XLogP of 17.36, 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)-14,23-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 is sourced from PubChem (CID 153440185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).