9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole

C55H37NOSi — CID 147593529

IUPAC9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Oc4ccccc43)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C55H37NOSi/c1-3-17-41(18-4-1)58(42-19-5-2-6-20-42)53-30-16-11-25-47(53)55(45-23-9-14-28-51(45)57-52-29-15-10-24-46(52)55)48-37-39(33-36-54(48)58)38-31-34-40(35-32-38)56-49-26-12-7-21-43(49)44-22-8-13-27-50(44)56/h1-37H
InChIKeyFYTAMWRQYVECGO-UHFFFAOYSA-N
MW755.99 g/mol
LogP10.63
Rot. Bonds4

About 9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole

9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole (PubChem CID 147593529) has the molecular formula C55H37NOSi and a molecular weight of 755.99 g/mol. Its IUPAC name is 9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole
PubChem CID147593529
Molecular FormulaC55H37NOSi
Molecular Weight755.99 g/mol
Exact Mass755.26
IUPAC Name9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Oc4ccccc43)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C55H37NOSi/c1-3-17-41(18-4-1)58(42-19-5-2-6-20-42)53-30-16-11-25-47(53)55(45-23-9-14-28-51(45)57-52-29-15-10-24-46(52)55)48-37-39(33-36-54(48)58)38-31-34-40(35-32-38)56-49-26-12-7-21-43(49)44-22-8-13-27-50(44)56/h1-37H
InChIKeyFYTAMWRQYVECGO-UHFFFAOYSA-N
XLogP10.63
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.99
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
9-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2'-yl)carbazole
CID 149296374
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
N,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine
CID 147646246
CID 166012545
CID 166012545
N-naphthalen-1-yl-5,5-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2'-amine
CID 152980023
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 137388498
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
9-[4-(3-dibenzothiophen-2-yl-10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole
CID 177291198
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731

Frequently Asked Questions

What is the IUPAC name of 9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole (CID 147593529) is 9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole is c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4ccccc4Oc4ccccc43)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)cc1.
What is the InChIKey of 9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole?
The InChIKey is FYTAMWRQYVECGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NOSi/c1-3-17-41(18-4-1)58(42-19-5-2-6-20-42)53-30-16-11-25-47(53)55(45-23-9-14-28-51(45)57-52-29-15-10-24-46(52)55)48-37-39(33-36-54(48)58)38-31-34-40(35-32-38)56-49-26-12-7-21-43(49)44-22-8-13-27-50(44)56/h1-37H.
What are the key properties of 9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole?
9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole has a molecular weight of 755.99 g/mol, XLogP of 10.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole is sourced from PubChem (CID 147593529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).