9-[3-(4-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole

C52H33NO2Si — CID 177291403

IUPAC9-[3-(4-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc([Si]2(c3cccc4ccccc34)c3ccccc3Oc3c(-c4ccc5oc6ccccc6c5c4)cccc32)c1
InChIInChI=1S/C52H33NO2Si/c1-2-18-38-34(14-1)15-11-28-49(38)56(37-17-12-16-36(33-37)53-44-23-6-3-19-40(44)41-20-4-7-24-45(41)53)50-27-10-9-26-48(50)55-52-39(22-13-29-51(52)56)35-30-31-47-43(32-35)42-21-5-8-25-46(42)54-47/h1-33H
InChIKeyYOHUNHBPORNLGV-UHFFFAOYSA-N
MW731.93 g/mol
LogP10.99
Rot. Bonds4

About 9-[3-(4-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole

9-[3-(4-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole (PubChem CID 177291403) has the molecular formula C52H33NO2Si and a molecular weight of 731.93 g/mol. Its IUPAC name is 9-[3-(4-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(4-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole
PubChem CID177291403
Molecular FormulaC52H33NO2Si
Molecular Weight731.93 g/mol
Exact Mass731.23
IUPAC Name9-[3-(4-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc([Si]2(c3cccc4ccccc34)c3ccccc3Oc3c(-c4ccc5oc6ccccc6c5c4)cccc32)c1
InChIInChI=1S/C52H33NO2Si/c1-2-18-38-34(14-1)15-11-28-49(38)56(37-17-12-16-36(33-37)53-44-23-6-3-19-40(44)41-20-4-7-24-45(41)53)50-27-10-9-26-48(50)55-52-39(22-13-29-51(52)56)35-30-31-47-43(32-35)42-21-5-8-25-46(42)54-47/h1-33H
InChIKeyYOHUNHBPORNLGV-UHFFFAOYSA-N
XLogP10.99
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.93
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[8-[8-(2-carbazol-9-yl-10,10-diphenylbenzo[b][1,4]benzoxasilin-8-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl]carbazole;9-[8-[3-(2-carbazol-9-yl-10,10-diphenylbenzo[b][1,4]benzoxasilin-8-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl]carbazole;2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline
CID 157387555
9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole
CID 177291361
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
9-[3-carbazol-9-yl-5-(2-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 155120118
3-tert-butyl-9-[6-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]carbazole
CID 140937166
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305806
N-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine
CID 121343364
3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole
CID 145345371
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
9-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433742
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 58510687

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole?
The IUPAC name of 9-[3-(4-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole (CID 177291403) is 9-[3-(4-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(4-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-(4-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole is c1cc(-n2c3ccccc3c3ccccc32)cc([Si]2(c3cccc4ccccc34)c3ccccc3Oc3c(-c4ccc5oc6ccccc6c5c4)cccc32)c1.
What is the InChIKey of 9-[3-(4-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole?
The InChIKey is YOHUNHBPORNLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2Si/c1-2-18-38-34(14-1)15-11-28-49(38)56(37-17-12-16-36(33-37)53-44-23-6-3-19-40(44)41-20-4-7-24-45(41)53)50-27-10-9-26-48(50)55-52-39(22-13-29-51(52)56)35-30-31-47-43(32-35)42-21-5-8-25-46(42)54-47/h1-33H.
What are the key properties of 9-[3-(4-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole?
9-[3-(4-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole has a molecular weight of 731.93 g/mol, XLogP of 10.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole is sourced from PubChem (CID 177291403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).