(15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)-triphenylsilane

C51H37NOSi — CID 140761959

IUPAC(15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)-triphenylsilane
SMILESCC1(C)c2cc3oc4ccccc4c3cc2-c2cc3c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C51H37NOSi/c1-51(2)45-32-48-43(30-40(45)41-31-44-39-25-15-16-26-49(39)53-50(44)33-46(41)51)42-29-38(27-28-47(42)52(48)34-17-7-3-8-18-34)54(35-19-9-4-10-20-35,36-21-11-5-12-22-36)37-23-13-6-14-24-37/h3-33H,1-2H3
InChIKeyZYUJNNHLWWKEJN-UHFFFAOYSA-N
MW707.95 g/mol
LogP10.37
Rot. Bonds5

About (15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)-triphenylsilane

(15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)-triphenylsilane (PubChem CID 140761959) has the molecular formula C51H37NOSi and a molecular weight of 707.95 g/mol. Its IUPAC name is (15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)-triphenylsilane.

Molecular Properties

Compound Name(15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)-triphenylsilane
PubChem CID140761959
Molecular FormulaC51H37NOSi
Molecular Weight707.95 g/mol
Exact Mass707.26
IUPAC Name(15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)-triphenylsilane
SMILESCC1(C)c2cc3oc4ccccc4c3cc2-c2cc3c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C51H37NOSi/c1-51(2)45-32-48-43(30-40(45)41-31-44-39-25-15-16-26-49(39)53-50(44)33-46(41)51)42-29-38(27-28-47(42)52(48)34-17-7-3-8-18-34)54(35-19-9-4-10-20-35,36-21-11-5-12-22-36)37-23-13-6-14-24-37/h3-33H,1-2H3
InChIKeyZYUJNNHLWWKEJN-UHFFFAOYSA-N
XLogP10.37
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.95
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)-triphenylsilane with MolForge

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Related Compounds

[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842638
10-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223345
15,15-dimethyl-19-[4-(4-methylphenyl)phenyl]-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118891844
8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223761
10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223734
[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;diphenyl-(9-phenylcarbazol-3-yl)-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane
CID 160702748
[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842348
23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene
CID 161294064
[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-[3-(9-phenylcarbazol-3-yl)phenyl]silane;diphenyl-[3-(9-phenylcarbazol-3-yl)phenyl]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]silane;diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]silane
CID 158196682
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223673
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223402

Frequently Asked Questions

What is the IUPAC name of (15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)-triphenylsilane?
The IUPAC name of (15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)-triphenylsilane (CID 140761959) is (15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)-triphenylsilane.
What is the SMILES notation for (15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)-triphenylsilane?
The canonical SMILES for (15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)-triphenylsilane is CC1(C)c2cc3oc4ccccc4c3cc2-c2cc3c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of (15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)-triphenylsilane?
The InChIKey is ZYUJNNHLWWKEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NOSi/c1-51(2)45-32-48-43(30-40(45)41-31-44-39-25-15-16-26-49(39)53-50(44)33-46(41)51)42-29-38(27-28-47(42)52(48)34-17-7-3-8-18-34)54(35-19-9-4-10-20-35,36-21-11-5-12-22-36)37-23-13-6-14-24-37/h3-33H,1-2H3.
What are the key properties of (15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)-triphenylsilane?
(15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)-triphenylsilane has a molecular weight of 707.95 g/mol, XLogP of 10.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)-triphenylsilane is sourced from PubChem (CID 140761959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).