4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene

C52H33N3Si — CID 140849407

IUPAC4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene
SMILESc1ccc(N2c3cccc4c3[Si]3(c5ccccc5)c5c2cccc5N(c2ccccc2)c2c3c(c3ccc5cccc6ccc2c3c56)N4c2ccccc2)cc1
InChIInChI=1S/C52H33N3Si/c1-5-18-36(19-6-1)53-42-26-14-28-44-50(42)56(39-24-11-4-12-25-39)51-43(53)27-15-29-45(51)55(38-22-9-3-10-23-38)49-41-33-31-35-17-13-16-34-30-32-40(47(41)46(34)35)48(52(49)56)54(44)37-20-7-2-8-21-37/h1-33H
InChIKeyIISKPDZRGFDELS-UHFFFAOYSA-N
MW727.94 g/mol
LogP11.31
Rot. Bonds4

About 4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene

4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene (PubChem CID 140849407) has the molecular formula C52H33N3Si and a molecular weight of 727.94 g/mol. Its IUPAC name is 4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene.

Molecular Properties

Compound Name4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene
PubChem CID140849407
Molecular FormulaC52H33N3Si
Molecular Weight727.94 g/mol
Exact Mass727.24
IUPAC Name4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene
SMILESc1ccc(N2c3cccc4c3[Si]3(c5ccccc5)c5c2cccc5N(c2ccccc2)c2c3c(c3ccc5cccc6ccc2c3c56)N4c2ccccc2)cc1
InChIInChI=1S/C52H33N3Si/c1-5-18-36(19-6-1)53-42-26-14-28-44-50(42)56(39-24-11-4-12-25-39)51-43(53)27-15-29-45(51)55(38-22-9-3-10-23-38)49-41-33-31-35-17-13-16-34-30-32-40(47(41)46(34)35)48(52(49)56)54(44)37-20-7-2-8-21-37/h1-33H
InChIKeyIISKPDZRGFDELS-UHFFFAOYSA-N
XLogP11.31
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.94
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene with MolForge

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Related Compounds

1-phenyl-8,14,22-tris(4-phenylphenyl)-8,14,22-triaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140849548
11,32-diphenyl-17-oxa-11,32-diaza-4λ5-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene 4-oxide
CID 134317375
2,2,16,19-tetraphenyl-26-pyren-1-yl-16,26-diaza-2-sila-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene
CID 165381435
11,17,32-triphenyl-11,17,32-triaza-4-phosphanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5,7,9,12,14,16(31),18,20,22,24,26(30),27-tetradecaene
CID 134317441
16,22,30-triphenyl-16,22,30-triaza-1-boraoctacyclo[15.11.1.13,27.02,15.04,13.07,12.021,29.023,28]triaconta-2(15),3,5,7,9,11,13,17,19,21(29),23(28),24,26-tridecaene
CID 140849186
10'-phenylspiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene-12,9'-acridine]
CID 156523710
2,13-diphenyl-2,13-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene
CID 20767416
N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine
CID 153459020
10-phenyl-3,7-di(pyren-1-yl)phenothiazine 5,5-dioxide
CID 141388111
N-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine
CID 153459046
2-[1,3-di(pyren-2-yl)benzimidazol-2-ylidene]-1,3-di(pyren-2-yl)benzimidazole
CID 134429100
6-(4,6-diphenylpyrimidin-2-yl)-3,9-bis(4-phenylphenyl)-3,9-diaza-24-boraundecacyclo[28.6.2.211,14.14,24.02,25.010,23.012,21.013,18.027,37.034,38.08,39]hentetraconta-1,4,6,8(39),10,12(21),13(18),14,16,19,22,25,27(37),28,30(38),31,33,35,40-nonadecaene
CID 169072803

Frequently Asked Questions

What is the IUPAC name of 4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene?
The IUPAC name of 4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene (CID 140849407) is 4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene.
What is the SMILES notation for 4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene?
The canonical SMILES for 4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene is c1ccc(N2c3cccc4c3[Si]3(c5ccccc5)c5c2cccc5N(c2ccccc2)c2c3c(c3ccc5cccc6ccc2c3c56)N4c2ccccc2)cc1.
What is the InChIKey of 4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene?
The InChIKey is IISKPDZRGFDELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3Si/c1-5-18-36(19-6-1)53-42-26-14-28-44-50(42)56(39-24-11-4-12-25-39)51-43(53)27-15-29-45(51)55(38-22-9-3-10-23-38)49-41-33-31-35-17-13-16-34-30-32-40(47(41)46(34)35)48(52(49)56)54(44)37-20-7-2-8-21-37/h1-33H.
What are the key properties of 4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene?
4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene has a molecular weight of 727.94 g/mol, XLogP of 11.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11,17,32-tetraphenyl-11,17,32-triaza-4-silanonacyclo[20.6.2.12,6.14,12.03,18.05,10.019,29.026,30.016,31]dotriaconta-1(29),2,5(10),6,8,12(31),13,15,18,20,22,24,26(30),27-tetradecaene is sourced from PubChem (CID 140849407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).