trimethyl-[4-[2-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)-6-(4-trimethylsilylphenyl)pyrimidin-4-yl]phenyl]silane

C47H41N5Si2 — CID 90432068

IUPACtrimethyl-[4-[2-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)-6-(4-trimethylsilylphenyl)pyrimidin-4-yl]phenyl]silane
SMILESC[Si](C)(C)c1ccc(-c2cc(-c3ccc([Si](C)(C)C)cc3)nc(-n3c4ccccc4c4ccc5c6ccccc6c6nc7ccccc7n6c5c43)n2)cc1
InChIInChI=1S/C47H41N5Si2/c1-53(2,3)32-23-19-30(20-24-32)40-29-41(31-21-25-33(26-22-31)54(4,5)6)50-47(49-40)52-42-17-11-9-14-35(42)37-28-27-36-34-13-7-8-15-38(34)46-48-39-16-10-12-18-43(39)51(46)44(36)45(37)52/h7-29H,1-6H3
InChIKeyAYBWGPOVHMTJGO-UHFFFAOYSA-N
MW732.05 g/mol
LogP11.11
Rot. Bonds5

About trimethyl-[4-[2-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)-6-(4-trimethylsilylphenyl)pyrimidin-4-yl]phenyl]silane

trimethyl-[4-[2-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)-6-(4-trimethylsilylphenyl)pyrimidin-4-yl]phenyl]silane (PubChem CID 90432068) has the molecular formula C47H41N5Si2 and a molecular weight of 732.05 g/mol. Its IUPAC name is trimethyl-[4-[2-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)-6-(4-trimethylsilylphenyl)pyrimidin-4-yl]phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-[2-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)-6-(4-trimethylsilylphenyl)pyrimidin-4-yl]phenyl]silane
PubChem CID90432068
Molecular FormulaC47H41N5Si2
Molecular Weight732.05 g/mol
Exact Mass731.29
IUPAC Nametrimethyl-[4-[2-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)-6-(4-trimethylsilylphenyl)pyrimidin-4-yl]phenyl]silane
SMILESC[Si](C)(C)c1ccc(-c2cc(-c3ccc([Si](C)(C)C)cc3)nc(-n3c4ccccc4c4ccc5c6ccccc6c6nc7ccccc7n6c5c43)n2)cc1
InChIInChI=1S/C47H41N5Si2/c1-53(2,3)32-23-19-30(20-24-32)40-29-41(31-21-25-33(26-22-31)54(4,5)6)50-47(49-40)52-42-17-11-9-14-35(42)37-28-27-36-34-13-7-8-15-38(34)46-48-39-16-10-12-18-43(39)51(46)44(36)45(37)52/h7-29H,1-6H3
InChIKeyAYBWGPOVHMTJGO-UHFFFAOYSA-N
XLogP11.11
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.05
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze trimethyl-[4-[2-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)-6-(4-trimethylsilylphenyl)pyrimidin-4-yl]phenyl]silane with MolForge

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Related Compounds

21-(4,6-diphenylpyrimidin-2-yl)-2,9,21-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene
CID 90432474
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,9,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 140939547
[4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159916743
9-triphenylen-2-yl-1,9,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 142565570
4-(4,6-diphenylpyrimidin-2-yl)-1,4-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17,19,21,23,25,27-tridecaene
CID 118330731
11-[4-carbazol-9-yl-6-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)-2-pyridinyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58037854
27-phenanthren-2-yl-2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene
CID 90432014
25-(4,6-diphenylpyrimidin-2-yl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
CID 90432339
27-(5-phenyl-3-pyridinyl)-2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene
CID 90432208
9-(4-phenylbenzo[h]quinazolin-2-yl)-1,9,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 142565484
[4-[2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane
CID 71286981
[11-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazol-12-yl]-diphenylphosphane
CID 143889833

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[2-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)-6-(4-trimethylsilylphenyl)pyrimidin-4-yl]phenyl]silane?
The IUPAC name of trimethyl-[4-[2-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)-6-(4-trimethylsilylphenyl)pyrimidin-4-yl]phenyl]silane (CID 90432068) is trimethyl-[4-[2-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)-6-(4-trimethylsilylphenyl)pyrimidin-4-yl]phenyl]silane.
What is the SMILES notation for trimethyl-[4-[2-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)-6-(4-trimethylsilylphenyl)pyrimidin-4-yl]phenyl]silane?
The canonical SMILES for trimethyl-[4-[2-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)-6-(4-trimethylsilylphenyl)pyrimidin-4-yl]phenyl]silane is C[Si](C)(C)c1ccc(-c2cc(-c3ccc([Si](C)(C)C)cc3)nc(-n3c4ccccc4c4ccc5c6ccccc6c6nc7ccccc7n6c5c43)n2)cc1.
What is the InChIKey of trimethyl-[4-[2-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)-6-(4-trimethylsilylphenyl)pyrimidin-4-yl]phenyl]silane?
The InChIKey is AYBWGPOVHMTJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41N5Si2/c1-53(2,3)32-23-19-30(20-24-32)40-29-41(31-21-25-33(26-22-31)54(4,5)6)50-47(49-40)52-42-17-11-9-14-35(42)37-28-27-36-34-13-7-8-15-38(34)46-48-39-16-10-12-18-43(39)51(46)44(36)45(37)52/h7-29H,1-6H3.
What are the key properties of trimethyl-[4-[2-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)-6-(4-trimethylsilylphenyl)pyrimidin-4-yl]phenyl]silane?
trimethyl-[4-[2-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)-6-(4-trimethylsilylphenyl)pyrimidin-4-yl]phenyl]silane has a molecular weight of 732.05 g/mol, XLogP of 11.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[2-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)-6-(4-trimethylsilylphenyl)pyrimidin-4-yl]phenyl]silane is sourced from PubChem (CID 90432068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).