18,24-dinaphthalen-1-ylspiro[14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene-21,5'-benzo[b][1]benzosilole]

C56H35NSi — CID 140872108

IUPAC18,24-dinaphthalen-1-ylspiro[14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene-21,5'-benzo[b][1]benzosilole]
SMILESc1ccc2c(c1)-c1ccccc1N1c3ccc(-c4cccc5ccccc45)cc3[Si]3(c4ccccc4-c4ccccc43)c3cc(-c4cccc5ccccc45)cc-2c31
InChIInChI=1S/C56H35NSi/c1-3-19-40-36(15-1)17-13-26-42(40)38-31-32-51-54(34-38)58(52-29-11-8-24-47(52)48-25-9-12-30-53(48)58)55-35-39(43-27-14-18-37-16-2-4-20-41(37)43)33-49-45-22-6-5-21-44(45)46-23-7-10-28-50(46)57(51)56(49)55/h1-35H
InChIKeyIGAAJTJLTYNCSR-UHFFFAOYSA-N
MW749.99 g/mol
LogP12.12
Rot. Bonds2

About 18,24-dinaphthalen-1-ylspiro[14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene-21,5'-benzo[b][1]benzosilole]

18,24-dinaphthalen-1-ylspiro[14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene-21,5'-benzo[b][1]benzosilole] (PubChem CID 140872108) has the molecular formula C56H35NSi and a molecular weight of 749.99 g/mol. Its IUPAC name is 18,24-dinaphthalen-1-ylspiro[14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene-21,5'-benzo[b][1]benzosilole].

Molecular Properties

Compound Name18,24-dinaphthalen-1-ylspiro[14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene-21,5'-benzo[b][1]benzosilole]
PubChem CID140872108
Molecular FormulaC56H35NSi
Molecular Weight749.99 g/mol
Exact Mass749.25
IUPAC Name18,24-dinaphthalen-1-ylspiro[14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene-21,5'-benzo[b][1]benzosilole]
SMILESc1ccc2c(c1)-c1ccccc1N1c3ccc(-c4cccc5ccccc45)cc3[Si]3(c4ccccc4-c4ccccc43)c3cc(-c4cccc5ccccc45)cc-2c31
InChIInChI=1S/C56H35NSi/c1-3-19-40-36(15-1)17-13-26-42(40)38-31-32-51-54(34-38)58(52-29-11-8-24-47(52)48-25-9-12-30-53(48)58)55-35-39(43-27-14-18-37-16-2-4-20-41(37)43)33-49-45-22-6-5-21-44(45)46-23-7-10-28-50(46)57(51)56(49)55/h1-35H
InChIKeyIGAAJTJLTYNCSR-UHFFFAOYSA-N
XLogP12.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.99
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 18,24-dinaphthalen-1-ylspiro[14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene-21,5'-benzo[b][1]benzosilole] with MolForge

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Related Compounds

21,21-dimethyl-18,24-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21,21-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21,21-diphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
CID 159780717
18,21,21,24-tetraphenyl-14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
CID 140872102
8,8,14,14-tetramethyl-5-(2-naphthalen-1-ylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 70892961
3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole
CID 155787174
2,7-dinaphthalen-1-ylfluoren-9-one
CID 146504296
8,8,13,13-tetramethyl-5,16-dinaphthalen-1-yl-8,13-disilahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59182546
14-phenyl-4-triphenylen-1-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
CID 121400651
18,24-di(dibenzofuran-4-yl)-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
CID 134509818
2-naphthalen-1-ylanthracene
CID 2748705
N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine
CID 153260612
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220514
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203

Frequently Asked Questions

What is the IUPAC name of 18,24-dinaphthalen-1-ylspiro[14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene-21,5'-benzo[b][1]benzosilole]?
The IUPAC name of 18,24-dinaphthalen-1-ylspiro[14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene-21,5'-benzo[b][1]benzosilole] (CID 140872108) is 18,24-dinaphthalen-1-ylspiro[14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene-21,5'-benzo[b][1]benzosilole].
What is the SMILES notation for 18,24-dinaphthalen-1-ylspiro[14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene-21,5'-benzo[b][1]benzosilole]?
The canonical SMILES for 18,24-dinaphthalen-1-ylspiro[14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene-21,5'-benzo[b][1]benzosilole] is c1ccc2c(c1)-c1ccccc1N1c3ccc(-c4cccc5ccccc45)cc3[Si]3(c4ccccc4-c4ccccc43)c3cc(-c4cccc5ccccc45)cc-2c31.
What is the InChIKey of 18,24-dinaphthalen-1-ylspiro[14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene-21,5'-benzo[b][1]benzosilole]?
The InChIKey is IGAAJTJLTYNCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NSi/c1-3-19-40-36(15-1)17-13-26-42(40)38-31-32-51-54(34-38)58(52-29-11-8-24-47(52)48-25-9-12-30-53(48)58)55-35-39(43-27-14-18-37-16-2-4-20-41(37)43)33-49-45-22-6-5-21-44(45)46-23-7-10-28-50(46)57(51)56(49)55/h1-35H.
What are the key properties of 18,24-dinaphthalen-1-ylspiro[14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene-21,5'-benzo[b][1]benzosilole]?
18,24-dinaphthalen-1-ylspiro[14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene-21,5'-benzo[b][1]benzosilole] has a molecular weight of 749.99 g/mol, XLogP of 12.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18,24-dinaphthalen-1-ylspiro[14-aza-21-silahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene-21,5'-benzo[b][1]benzosilole] is sourced from PubChem (CID 140872108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).