24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene

C71H50N2OSi3 — CID 174072666

IUPAC24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cc4oc5c(-n6c7ccccc7c7ccccc76)nccc5c4cc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C71H50N2OSi3/c1-7-27-51(28-8-1)75(52-29-9-2-10-30-52)64-43-23-25-45-66(64)76(53-31-11-3-12-32-53,54-33-13-4-14-34-54)68-49-60-59-47-48-72-71(73-61-41-21-19-39-57(61)58-40-20-22-42-62(58)73)70(59)74-63(60)50-69(68)77(55-35-15-5-16-36-55,56-37-17-6-18-38-56)67-46-26-24-44-65(67)75/h1-50H
InChIKeySZFCSCFKPBRZJE-UHFFFAOYSA-N
MW1031.45 g/mol
LogP8.52
Rot. Bonds7

About 24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene

24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene (PubChem CID 174072666) has the molecular formula C71H50N2OSi3 and a molecular weight of 1031.45 g/mol. Its IUPAC name is 24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene.

Molecular Properties

Compound Name24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene
PubChem CID174072666
Molecular FormulaC71H50N2OSi3
Molecular Weight1031.45 g/mol
Exact Mass1030.32
IUPAC Name24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cc4oc5c(-n6c7ccccc7c7ccccc76)nccc5c4cc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C71H50N2OSi3/c1-7-27-51(28-8-1)75(52-29-9-2-10-30-52)64-43-23-25-45-66(64)76(53-31-11-3-12-32-53,54-33-13-4-14-34-54)68-49-60-59-47-48-72-71(73-61-41-21-19-39-57(61)58-40-20-22-42-62(58)73)70(59)74-63(60)50-69(68)77(55-35-15-5-16-36-55,56-37-17-6-18-38-56)67-46-26-24-44-65(67)75/h1-50H
InChIKeySZFCSCFKPBRZJE-UHFFFAOYSA-N
XLogP8.52
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.45
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene with MolForge

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Related Compounds

1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 167193903
9-(18-pyrido[3,4-b]indol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)pyrido[3,4-b]indole
CID 59147045
1-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;6-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 157234623
9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole
CID 164757364
9-[18-(18-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl]carbazole
CID 67952828
9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole
CID 149296374
1-[3-[9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 158552682
11-(2,9,9-triphenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole
CID 140805712
9-[8-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)dibenzofuran-2-yl]carbazole
CID 58389814
1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 71478917
6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 155029347
diphenyl-bis(6-pyrido[3,4-b]indol-9-yl-[1]benzofuro[2,3-c]pyridin-1-yl)silane
CID 140811487

Frequently Asked Questions

What is the IUPAC name of 24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene?
The IUPAC name of 24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene (CID 174072666) is 24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene.
What is the SMILES notation for 24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene?
The canonical SMILES for 24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene is c1ccc([Si]2(c3ccccc3)c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cc4oc5c(-n6c7ccccc7c7ccccc76)nccc5c4cc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene?
The InChIKey is SZFCSCFKPBRZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H50N2OSi3/c1-7-27-51(28-8-1)75(52-29-9-2-10-30-52)64-43-23-25-45-66(64)76(53-31-11-3-12-32-53,54-33-13-4-14-34-54)68-49-60-59-47-48-72-71(73-61-41-21-19-39-57(61)58-40-20-22-42-62(58)73)70(59)74-63(60)50-69(68)77(55-35-15-5-16-36-55,56-37-17-6-18-38-56)67-46-26-24-44-65(67)75/h1-50H.
What are the key properties of 24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene?
24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene has a molecular weight of 1031.45 g/mol, XLogP of 8.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 24-carbazol-9-yl-2,2,9,9,16,16-hexakis-phenyl-26-oxa-23-aza-2,9,16-trisilahexacyclo[15.11.0.03,8.010,15.019,27.020,25]octacosa-1(17),3,5,7,10,12,14,18,20(25),21,23,27-dodecaene is sourced from PubChem (CID 174072666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).