ethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane

C59H52O2Si3 — CID 159053069

IUPACethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane
SMILESC#C[Si](C)(C)C.C[Si](C)(C)C#Cc1c2ccc3ccccc3c2c(C#C[Si](C)(C)C)c2ccc3ccccc3c12.O=C1c2ccc3ccccc3c2C(=O)c2ccc3ccccc3c21
InChIInChI=1S/C32H30Si2.C22H12O2.C5H10Si/c1-33(2,3)21-19-29-27-17-15-24-12-8-10-14-26(24)32(27)30(20-22-34(4,5)6)28-18-16-23-11-7-9-13-25(23)31(28)29;23-21-18-12-10-14-6-2-4-8-16(14)20(18)22(24)17-11-9-13-5-1-3-7-15(13)19(17)21;1-5-6(2,3)4/h7-18H,1-6H3;1-12H;1H,2-4H3
InChIKeyJXNDHDOPBPSGLK-UHFFFAOYSA-N
MW877.32 g/mol
LogP15.02
Rot. Bonds

About ethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane

ethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane (PubChem CID 159053069) has the molecular formula C59H52O2Si3 and a molecular weight of 877.32 g/mol. Its IUPAC name is ethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane.

Molecular Properties

Compound Nameethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane
PubChem CID159053069
Molecular FormulaC59H52O2Si3
Molecular Weight877.32 g/mol
Exact Mass876.33
IUPAC Nameethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane
SMILESC#C[Si](C)(C)C.C[Si](C)(C)C#Cc1c2ccc3ccccc3c2c(C#C[Si](C)(C)C)c2ccc3ccccc3c12.O=C1c2ccc3ccccc3c2C(=O)c2ccc3ccccc3c21
InChIInChI=1S/C32H30Si2.C22H12O2.C5H10Si/c1-33(2,3)21-19-29-27-17-15-24-12-8-10-14-26(24)32(27)30(20-22-34(4,5)6)28-18-16-23-11-7-9-13-25(23)31(28)29;23-21-18-12-10-14-6-2-4-8-16(14)20(18)22(24)17-11-9-13-5-1-3-7-15(13)19(17)21;1-5-6(2,3)4/h7-18H,1-6H3;1-12H;1H,2-4H3
InChIKeyJXNDHDOPBPSGLK-UHFFFAOYSA-N
XLogP15.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.32
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane with MolForge

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Related Compounds

trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane
CID 102311843
heptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20(29),21,23,25,27-tetradecaen-16-one
CID 102495054
2-chrysen-5-yl(1,2-13C2)ethynyl(trimethyl)silane
CID 66552882
[1-(2-trimethylsilylethynyl)naphthalen-2-yl]methanol
CID 15355674
2,3-dimethoxyphenanthrene-1,4-dione
CID 14003225
CID 137295730
CID 137295730
3-(1,2,4-trioxophenanthren-3-yl)phenanthrene-1,2,4-trione
CID 10343512
trimethyl(2-phenanthren-2-ylethynyl)silane
CID 131953552
8,9,10,11-tetradeuteriobenzo[a]anthracene-7,12-dione
CID 169434082
benzo[c]fluoren-7-one
CID 22413
8-bromobenzo[a]anthracene-7,12-dione;4,8-dibromobenzo[a]anthracene-7,12-dione
CID 160743910
10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile
CID 86230221

Frequently Asked Questions

What is the IUPAC name of ethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane?
The IUPAC name of ethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane (CID 159053069) is ethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane.
What is the SMILES notation for ethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane?
The canonical SMILES for ethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane is C#C[Si](C)(C)C.C[Si](C)(C)C#Cc1c2ccc3ccccc3c2c(C#C[Si](C)(C)C)c2ccc3ccccc3c12.O=C1c2ccc3ccccc3c2C(=O)c2ccc3ccccc3c21.
What is the InChIKey of ethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane?
The InChIKey is JXNDHDOPBPSGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Si2.C22H12O2.C5H10Si/c1-33(2,3)21-19-29-27-17-15-24-12-8-10-14-26(24)32(27)30(20-22-34(4,5)6)28-18-16-23-11-7-9-13-25(23)31(28)29;23-21-18-12-10-14-6-2-4-8-16(14)20(18)22(24)17-11-9-13-5-1-3-7-15(13)19(17)21;1-5-6(2,3)4/h7-18H,1-6H3;1-12H;1H,2-4H3.
What are the key properties of ethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane?
ethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane has a molecular weight of 877.32 g/mol, XLogP of 15.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethynyl(trimethyl)silane;naphtho[1,2-b]phenanthrene-7,14-dione;trimethyl-[2-[7-(2-trimethylsilylethynyl)naphtho[1,2-b]phenanthren-14-yl]ethynyl]silane is sourced from PubChem (CID 159053069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).