9-(7-dibenzofuran-4-yl-5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,6-di(phenanthren-9-yl)carbazole

C66H43NOSi — CID 146850973

IUPAC9-(7-dibenzofuran-4-yl-5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,6-di(phenanthren-9-yl)carbazole
SMILESC[Si]1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2ccc(-n3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc43)cc21
InChIInChI=1S/C66H43NOSi/c1-69(2)64-38-44(48-23-13-24-56-53-22-11-12-25-63(53)68-66(48)56)26-30-54(64)55-31-29-45(39-65(55)69)67-61-32-27-42(57-34-40-14-3-5-16-46(40)49-18-7-9-20-51(49)57)36-59(61)60-37-43(28-33-62(60)67)58-35-41-15-4-6-17-47(41)50-19-8-10-21-52(50)58/h3-39H,1-2H3
InChIKeySIOJHRIQGXEKIG-UHFFFAOYSA-N
MW894.16 g/mol
LogP17.10
Rot. Bonds4

About 9-(7-dibenzofuran-4-yl-5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,6-di(phenanthren-9-yl)carbazole

9-(7-dibenzofuran-4-yl-5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,6-di(phenanthren-9-yl)carbazole (PubChem CID 146850973) has the molecular formula C66H43NOSi and a molecular weight of 894.16 g/mol. Its IUPAC name is 9-(7-dibenzofuran-4-yl-5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,6-di(phenanthren-9-yl)carbazole.

Molecular Properties

Compound Name9-(7-dibenzofuran-4-yl-5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,6-di(phenanthren-9-yl)carbazole
PubChem CID146850973
Molecular FormulaC66H43NOSi
Molecular Weight894.16 g/mol
Exact Mass893.31
IUPAC Name9-(7-dibenzofuran-4-yl-5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,6-di(phenanthren-9-yl)carbazole
SMILESC[Si]1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2ccc(-n3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc43)cc21
InChIInChI=1S/C66H43NOSi/c1-69(2)64-38-44(48-23-13-24-56-53-22-11-12-25-63(53)68-66(48)56)26-30-54(64)55-31-29-45(39-65(55)69)67-61-32-27-42(57-34-40-14-3-5-16-46(40)49-18-7-9-20-51(49)57)36-59(61)60-37-43(28-33-62(60)67)58-35-41-15-4-6-17-47(41)50-19-8-10-21-52(50)58/h3-39H,1-2H3
InChIKeySIOJHRIQGXEKIG-UHFFFAOYSA-N
XLogP17.10
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.16
LogP ≤ 517.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

CID 144938378
CID 144938378
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 155305912
9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
CID 58536218
3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole
CID 87156900
9-(3-dibenzofuran-2-ylphenyl)-3-(6-phenanthren-9-yldibenzofuran-2-yl)carbazole
CID 121449285
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole
CID 142356757
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole
CID 144938473

Frequently Asked Questions

What is the IUPAC name of 9-(7-dibenzofuran-4-yl-5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,6-di(phenanthren-9-yl)carbazole?
The IUPAC name of 9-(7-dibenzofuran-4-yl-5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,6-di(phenanthren-9-yl)carbazole (CID 146850973) is 9-(7-dibenzofuran-4-yl-5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,6-di(phenanthren-9-yl)carbazole.
What is the SMILES notation for 9-(7-dibenzofuran-4-yl-5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,6-di(phenanthren-9-yl)carbazole?
The canonical SMILES for 9-(7-dibenzofuran-4-yl-5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,6-di(phenanthren-9-yl)carbazole is C[Si]1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2ccc(-n3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4cc(-c5cc6ccccc6c6ccccc56)ccc43)cc21.
What is the InChIKey of 9-(7-dibenzofuran-4-yl-5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,6-di(phenanthren-9-yl)carbazole?
The InChIKey is SIOJHRIQGXEKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43NOSi/c1-69(2)64-38-44(48-23-13-24-56-53-22-11-12-25-63(53)68-66(48)56)26-30-54(64)55-31-29-45(39-65(55)69)67-61-32-27-42(57-34-40-14-3-5-16-46(40)49-18-7-9-20-51(49)57)36-59(61)60-37-43(28-33-62(60)67)58-35-41-15-4-6-17-47(41)50-19-8-10-21-52(50)58/h3-39H,1-2H3.
What are the key properties of 9-(7-dibenzofuran-4-yl-5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,6-di(phenanthren-9-yl)carbazole?
9-(7-dibenzofuran-4-yl-5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,6-di(phenanthren-9-yl)carbazole has a molecular weight of 894.16 g/mol, XLogP of 17.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-dibenzofuran-4-yl-5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,6-di(phenanthren-9-yl)carbazole is sourced from PubChem (CID 146850973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).