17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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

C66H46O2Si2 — CID 153293514

IUPAC17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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
SMILESC[Si]1(C)c2cc3c(cc2-c2c1cc(-c1ccc(-c4ccccc4)c4ccccc14)c1c2oc2ccccc21)[Si](C)(C)c1cc(-c2ccc(-c4ccccc4)c4ccccc24)c2c(oc4ccccc42)c1-3
InChIInChI=1S/C66H46O2Si2/c1-69(2)57-37-54-58(38-53(57)63-59(69)35-51(61-49-27-15-17-29-55(49)67-65(61)63)47-33-31-41(39-19-7-5-8-20-39)43-23-11-13-25-45(43)47)70(3,4)60-36-52(62-50-28-16-18-30-56(50)68-66(62)64(54)60)48-34-32-42(40-21-9-6-10-22-40)44-24-12-14-26-46(44)48/h5-38H,1-4H3
InChIKeyUPHLYXWKNUUNHR-UHFFFAOYSA-N
MW927.26 g/mol
LogP16.07
Rot. Bonds4

About 17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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

17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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 (PubChem CID 153293514) has the molecular formula C66H46O2Si2 and a molecular weight of 927.26 g/mol. Its IUPAC name is 17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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.

Molecular Properties

Compound Name17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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
PubChem CID153293514
Molecular FormulaC66H46O2Si2
Molecular Weight927.26 g/mol
Exact Mass926.30
IUPAC Name17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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
SMILESC[Si]1(C)c2cc3c(cc2-c2c1cc(-c1ccc(-c4ccccc4)c4ccccc14)c1c2oc2ccccc21)[Si](C)(C)c1cc(-c2ccc(-c4ccccc4)c4ccccc24)c2c(oc4ccccc42)c1-3
InChIInChI=1S/C66H46O2Si2/c1-69(2)57-37-54-58(38-53(57)63-59(69)35-51(61-49-27-15-17-29-55(49)67-65(61)63)47-33-31-41(39-19-7-5-8-20-39)43-23-11-13-25-45(43)47)70(3,4)60-36-52(62-50-28-16-18-30-56(50)68-66(62)64(54)60)48-34-32-42(40-21-9-6-10-22-40)44-24-12-14-26-46(44)48/h5-38H,1-4H3
InChIKeyUPHLYXWKNUUNHR-UHFFFAOYSA-N
XLogP16.07
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms70
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.26
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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?
The IUPAC name of 17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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 (CID 153293514) is 17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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.
What is the SMILES notation for 17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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?
The canonical SMILES for 17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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 is C[Si]1(C)c2cc3c(cc2-c2c1cc(-c1ccc(-c4ccccc4)c4ccccc14)c1c2oc2ccccc21)[Si](C)(C)c1cc(-c2ccc(-c4ccccc4)c4ccccc24)c2c(oc4ccccc42)c1-3.
What is the InChIKey of 17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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?
The InChIKey is UPHLYXWKNUUNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46O2Si2/c1-69(2)57-37-54-58(38-53(57)63-59(69)35-51(61-49-27-15-17-29-55(49)67-65(61)63)47-33-31-41(39-19-7-5-8-20-39)43-23-11-13-25-45(43)47)70(3,4)60-36-52(62-50-28-16-18-30-56(50)68-66(62)64(54)60)48-34-32-42(40-21-9-6-10-22-40)44-24-12-14-26-46(44)48/h5-38H,1-4H3.
What are the key properties of 17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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?
17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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 has a molecular weight of 927.26 g/mol, XLogP of 16.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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 is sourced from PubChem (CID 153293514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).