bis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane

C60H38B2N4Si — CID 153430751

IUPACbis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2B2N3c3cccc4c5ccccc5n2c34)c2ccc3c(c2)-c2ccccc2B2N3c3cccc4c5ccccc5n2c34)cc1
InChIInChI=1S/C60H38B2N4Si/c1-3-17-39(18-4-1)67(40-19-5-2-6-20-40,41-33-35-55-49(37-41)43-21-7-11-27-51(43)61-63(55)57-31-15-25-47-45-23-9-13-29-53(45)65(61)59(47)57)42-34-36-56-50(38-42)44-22-8-12-28-52(44)62-64(56)58-32-16-26-48-46-24-10-14-30-54(46)66(62)60(48)58/h1-38H
InChIKeyVFFVVEVHTKYVRT-UHFFFAOYSA-N
MW864.70 g/mol
LogP10.03
Rot. Bonds4

About bis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane

bis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane (PubChem CID 153430751) has the molecular formula C60H38B2N4Si and a molecular weight of 864.70 g/mol. Its IUPAC name is bis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane.

Molecular Properties

Compound Namebis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane
PubChem CID153430751
Molecular FormulaC60H38B2N4Si
Molecular Weight864.70 g/mol
Exact Mass864.31
IUPAC Namebis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2B2N3c3cccc4c5ccccc5n2c34)c2ccc3c(c2)-c2ccccc2B2N3c3cccc4c5ccccc5n2c34)cc1
InChIInChI=1S/C60H38B2N4Si/c1-3-17-39(18-4-1)67(40-19-5-2-6-20-40,41-33-35-55-49(37-41)43-21-7-11-27-51(43)61-63(55)57-31-15-25-47-45-23-9-13-29-53(45)65(61)59(47)57)42-34-36-56-50(38-42)44-22-8-12-28-52(44)62-64(56)58-32-16-26-48-46-24-10-14-30-54(46)66(62)60(48)58/h1-38H
InChIKeyVFFVVEVHTKYVRT-UHFFFAOYSA-N
XLogP10.03
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.70
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane with MolForge

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Related Compounds

6-carbazol-9-yl-2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaene
CID 153430620
[4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane
CID 177114968
1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-10-yl-[23-[1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-10-yl(diphenyl)silyl]-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaen-4-yl]-diphenylsilane
CID 140834773
25-carbazol-9-yl-2,16,20-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17(22),18,20,23(27),24-dodecaene
CID 153430676
25-carbazol-9-yl-2,16,26-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(27),3,5,7,9,11,13,17,19,21,23,25-dodecaene
CID 153430688
1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane
CID 59221914
1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-10-yl-[18-(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-10-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaen-10-yl]-diphenylsilane;1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-5-yl-[18-(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-5-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaen-10-yl]-diphenylsilane;1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-5-yl-[23-(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-10-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaen-5-yl]-diphenylsilane
CID 158869104
10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene
CID 153430683
[9-(2-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811116
bis(16-oxo-2-aza-16λ5-phospha-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane
CID 140821567
triphenyl-[9-(9-phenylcarbazol-1-yl)carbazol-2-yl]silane
CID 170515043
triphenyl-[1-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane
CID 170516513

Frequently Asked Questions

What is the IUPAC name of bis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane?
The IUPAC name of bis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane (CID 153430751) is bis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane.
What is the SMILES notation for bis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane?
The canonical SMILES for bis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2B2N3c3cccc4c5ccccc5n2c34)c2ccc3c(c2)-c2ccccc2B2N3c3cccc4c5ccccc5n2c34)cc1.
What is the InChIKey of bis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane?
The InChIKey is VFFVVEVHTKYVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38B2N4Si/c1-3-17-39(18-4-1)67(40-19-5-2-6-20-40,41-33-35-55-49(37-41)43-21-7-11-27-51(43)61-63(55)57-31-15-25-47-45-23-9-13-29-53(45)65(61)59(47)57)42-34-36-56-50(38-42)44-22-8-12-28-52(44)62-64(56)58-32-16-26-48-46-24-10-14-30-54(46)66(62)60(48)58/h1-38H.
What are the key properties of bis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane?
bis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane has a molecular weight of 864.70 g/mol, XLogP of 10.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane is sourced from PubChem (CID 153430751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).