14-N,31-N-bis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine

C86H72N2O2Si2 — CID 153440188

About 14-N,31-N-bis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine

14-N,31-N-bis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine (PubChem CID 153440188) has the molecular formula C86H72N2O2Si2 and a molecular weight of 1221.71 g/mol. Its IUPAC name is 14-N,31-N-bis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine.

Molecular Properties

• Compound Name: 14-N,31-N-bis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine
• PubChem CID: 153440188
• Molecular Formula: C86H72N2O2Si2
• Molecular Weight: 1221.71 g/mol
• Exact Mass: 1220.51
• IUPAC Name: 14-N,31-N-bis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine
• SMILES: CC(C)(C)c1ccc(-c2ccc(N(c3ccccc3)c3cc4c(c5oc6ccccc6c35)-c3cc5c(cc3[Si]4(C)C)-c3c(cc(N(c4ccccc4)c4ccc(-c6ccc(C(C)(C)C)c7ccccc67)cc4)c4c3oc3ccccc34)[Si]5(C)C)cc2)c2ccccc12
• InChI: InChI=1S/C86H72N2O2Si2/c1-85(2,3)69-47-45-59(61-29-17-19-31-63(61)69)53-37-41-57(42-38-53)87(55-25-13-11-14-26-55)71-51-77-81(83-79(71)65-33-21-23-35-73(65)89-83)67-49-76-68(50-75(67)91(77,7)8)82-78(92(76,9)10)52-72(80-66-34-22-24-36-74(66)90-84(80)82)88(56-27-15-12-16-28-56)58-43-39-54(40-44-58)60-46-48-70(86(4,5)6)64-32-20-18-30-62(60)64/h11-52H,1-10H3
• InChIKey: NEOWKKCCPNCTOS-UHFFFAOYSA-N
• XLogP: 22.27
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1221.71
LogP ≤ 5	22.27
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 14-N,31-N-bis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine?

The IUPAC name of 14-N,31-N-bis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine (CID 153440188) is 14-N,31-N-bis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine.

What is the SMILES notation for 14-N,31-N-bis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine?

The canonical SMILES for 14-N,31-N-bis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine is CC(C)(C)c1ccc(-c2ccc(N(c3ccccc3)c3cc4c(c5oc6ccccc6c35)-c3cc5c(cc3[Si]4(C)C)-c3c(cc(N(c4ccccc4)c4ccc(-c6ccc(C(C)(C)C)c7ccccc67)cc4)c4c3oc3ccccc34)[Si]5(C)C)cc2)c2ccccc12.

What is the InChIKey of 14-N,31-N-bis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine?

The InChIKey is NEOWKKCCPNCTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H72N2O2Si2/c1-85(2,3)69-47-45-59(61-29-17-19-31-63(61)69)53-37-41-57(42-38-53)87(55-25-13-11-14-26-55)71-51-77-81(83-79(71)65-33-21-23-35-73(65)89-83)67-49-76-68(50-75(67)91(77,7)8)82-78(92(76,9)10)52-72(80-66-34-22-24-36-74(66)90-84(80)82)88(56-27-15-12-16-28-56)58-43-39-54(40-44-58)60-46-48-70(86(4,5)6)64-32-20-18-30-62(60)64/h11-52H,1-10H3.

What are the key properties of 14-N,31-N-bis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine?

14-N,31-N-bis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine has a molecular weight of 1221.71 g/mol, XLogP of 22.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14-N,31-N-bis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine is sourced from PubChem (CID 153440188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).