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

C52H33NOSSi — CID 177291361

IUPAC9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole
SMILESc1ccc2c(c1)Sc1cc(-c3ccc4oc5ccccc5c4c3)ccc1[Si]2(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1cccc2ccccc12
InChIInChI=1S/C52H33NOSSi/c1-2-14-39-34(12-1)13-11-23-50(39)56(38-28-26-37(27-29-38)53-44-18-6-3-15-40(44)41-16-4-7-19-45(41)53)51-22-10-9-21-48(51)55-49-33-36(25-31-52(49)56)35-24-30-47-43(32-35)42-17-5-8-20-46(42)54-47/h1-33H
InChIKeyUANHKHGFEDPBEU-UHFFFAOYSA-N
MW748.00 g/mol
LogP11.35
Rot. Bonds4

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

9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole (PubChem CID 177291361) has the molecular formula C52H33NOSSi and a molecular weight of 748.00 g/mol. Its IUPAC name is 9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole
PubChem CID177291361
Molecular FormulaC52H33NOSSi
Molecular Weight748.00 g/mol
Exact Mass747.21
IUPAC Name9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole
SMILESc1ccc2c(c1)Sc1cc(-c3ccc4oc5ccccc5c4c3)ccc1[Si]2(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1cccc2ccccc12
InChIInChI=1S/C52H33NOSSi/c1-2-14-39-34(12-1)13-11-23-50(39)56(38-28-26-37(27-29-38)53-44-18-6-3-15-40(44)41-16-4-7-19-45(41)53)51-22-10-9-21-48(51)55-49-33-36(25-31-52(49)56)35-24-30-47-43(32-35)42-17-5-8-20-46(42)54-47/h1-33H
InChIKeyUANHKHGFEDPBEU-UHFFFAOYSA-N
XLogP11.35
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.00
LogP ≤ 511.35
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-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole
CID 177291128
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 118148524
9-[3-(4-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]carbazole
CID 177291403
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
CID 58510838
9-[16-(16-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-6-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-6-yl]carbazole
CID 59147197
9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
CID 58536267
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole (CID 177291361) is 9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole is c1ccc2c(c1)Sc1cc(-c3ccc4oc5ccccc5c4c3)ccc1[Si]2(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1cccc2ccccc12.
What is the InChIKey of 9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole?
The InChIKey is UANHKHGFEDPBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOSSi/c1-2-14-39-34(12-1)13-11-23-50(39)56(38-28-26-37(27-29-38)53-44-18-6-3-15-40(44)41-16-4-7-19-45(41)53)51-22-10-9-21-48(51)55-49-33-36(25-31-52(49)56)35-24-30-47-43(32-35)42-17-5-8-20-46(42)54-47/h1-33H.
What are the key properties of 9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole?
9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole has a molecular weight of 748.00 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole is sourced from PubChem (CID 177291361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).