3,3,34,34-tetramethyl-6-N,6-N,31-N,31-N-tetraphenyl-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

C58H44N2O2Si2 — CID 153440163

About 3,3,34,34-tetramethyl-6-N,6-N,31-N,31-N-tetraphenyl-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,6-N,31-N,31-N-tetraphenyl-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 153440163) has the molecular formula C58H44N2O2Si2 and a molecular weight of 857.17 g/mol. Its IUPAC name is 3,3,34,34-tetramethyl-6-N,6-N,31-N,31-N-tetraphenyl-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,6-N,31-N,31-N-tetraphenyl-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: 153440163
• Molecular Formula: C58H44N2O2Si2
• Molecular Weight: 857.17 g/mol
• Exact Mass: 856.29
• IUPAC Name: 3,3,34,34-tetramethyl-6-N,6-N,31-N,31-N-tetraphenyl-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)c3c(oc4ccccc43)c2-c2ccc3c(c21)[Si](C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2c(oc4ccccc42)c1-3
• InChI: InChI=1S/C58H44N2O2Si2/c1-63(2)49-35-45(59(37-21-9-5-10-22-37)38-23-11-6-12-24-38)51-41-29-17-19-31-47(41)61-55(51)53(49)43-33-34-44-54-50(64(3,4)58(44)57(43)63)36-46(52-42-30-18-20-32-48(42)62-56(52)54)60(39-25-13-7-14-26-39)40-27-15-8-16-28-40/h5-36H,1-4H3
• InChIKey: YRVDFKXNHVNESR-UHFFFAOYSA-N
• XLogP: 14.03
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.17
LogP ≤ 5	14.03
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,6-N,31-N,31-N-tetraphenyl-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,6-N,31-N,31-N-tetraphenyl-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 153440163) is 3,3,34,34-tetramethyl-6-N,6-N,31-N,31-N-tetraphenyl-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,6-N,31-N,31-N-tetraphenyl-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,6-N,31-N,31-N-tetraphenyl-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)c3c(oc4ccccc43)c2-c2ccc3c(c21)[Si](C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2c(oc4ccccc42)c1-3.

What is the InChIKey of 3,3,34,34-tetramethyl-6-N,6-N,31-N,31-N-tetraphenyl-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 YRVDFKXNHVNESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2O2Si2/c1-63(2)49-35-45(59(37-21-9-5-10-22-37)38-23-11-6-12-24-38)51-41-29-17-19-31-47(41)61-55(51)53(49)43-33-34-44-54-50(64(3,4)58(44)57(43)63)36-46(52-42-30-18-20-32-48(42)62-56(52)54)60(39-25-13-7-14-26-39)40-27-15-8-16-28-40/h5-36H,1-4H3.

What are the key properties of 3,3,34,34-tetramethyl-6-N,6-N,31-N,31-N-tetraphenyl-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,6-N,31-N,31-N-tetraphenyl-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 857.17 g/mol, XLogP of 14.03, 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,6-N,31-N,31-N-tetraphenyl-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 153440163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).