14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine

C64H56N2O2Si2 — CID 153440164

About 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine

14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine (PubChem CID 153440164) has the molecular formula C64H56N2O2Si2 and a molecular weight of 941.34 g/mol. Its IUPAC name is 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine.

Molecular Properties

• Compound Name: 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine
• PubChem CID: 153440164
• Molecular Formula: C64H56N2O2Si2
• Molecular Weight: 941.34 g/mol
• Exact Mass: 940.39
• IUPAC Name: 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine
• SMILES: Cc1ccc(N(c2ccccc2C)c2cc3c(c4c2oc2ccccc24)-c2cc4c(cc2[Si]3(C)C)-c2c(cc(N(c3ccccc3C)c3ccc(C)cc3C)c3c2oc2ccccc23)[Si]4(C)C)c(C)c1
• InChI: InChI=1S/C64H56N2O2Si2/c1-37-27-29-49(41(5)31-37)65(47-23-15-11-19-39(47)3)51-35-58-61(64-59(51)43-21-13-17-25-53(43)68-64)46-34-55-45(33-56(46)70(58,9)10)60-57(69(55,7)8)36-52(63-62(60)44-22-14-18-26-54(44)67-63)66(48-24-16-12-20-40(48)4)50-30-28-38(2)32-42(50)6/h11-36H,1-10H3
• InChIKey: VVGPWEAMEQDRKD-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.34
LogP ≤ 5	15.88
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(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine?

The IUPAC name of 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine (CID 153440164) is 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine.

What is the SMILES notation for 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine?

The canonical SMILES for 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine is Cc1ccc(N(c2ccccc2C)c2cc3c(c4c2oc2ccccc24)-c2cc4c(cc2[Si]3(C)C)-c2c(cc(N(c3ccccc3C)c3ccc(C)cc3C)c3c2oc2ccccc23)[Si]4(C)C)c(C)c1.

What is the InChIKey of 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine?

The InChIKey is VVGPWEAMEQDRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56N2O2Si2/c1-37-27-29-49(41(5)31-37)65(47-23-15-11-19-39(47)3)51-35-58-61(64-59(51)43-21-13-17-25-53(43)68-64)46-34-55-45(33-56(46)70(58,9)10)60-57(69(55,7)8)36-52(63-62(60)44-22-14-18-26-54(44)67-63)66(48-24-16-12-20-40(48)4)50-30-28-38(2)32-42(50)6/h11-36H,1-10H3.

What are the key properties of 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine?

14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine has a molecular weight of 941.34 g/mol, XLogP of 15.88, 6 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(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine is sourced from PubChem (CID 153440164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).