[3-[3-[4-[3-(4-dibenzofuran-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-2-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane

C192H177B3OS2 — CID 159005356

IUPAC[3-[3-[4-[3-(4-dibenzofuran-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-2-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2cccc(-c3cccc(-c4ccc(C56CC7CC(C5)CC(c5ccc(-c8ccc9sc%10ccccc%10c9c8)cc5)(C7)C6)cc4)c3)c2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(B(c2cccc(-c3cccc(-c4ccc(C56CC7CC(C5)CC(c5ccc(-c8cccc9c8oc8ccccc89)cc5)(C7)C6)cc4)c3)c2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(B(c2cccc(-c3cccc(-c4ccc(C56CC7CC(C5)CC(c5ccc(-c8cccc9c8sc8ccccc89)cc5)(C7)C6)cc4)c3)c2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C64H59BO.2C64H59BS/c2*1-40-28-42(3)60(43(4)29-40)65(61-44(5)30-41(2)31-45(61)6)55-15-10-14-52(34-55)51-13-9-12-50(33-51)48-20-24-53(25-21-48)63-35-46-32-47(36-63)38-64(37-46,39-63)54-26-22-49(23-27-54)56-17-11-18-58-57-16-7-8-19-59(57)66-62(56)58;1-40-27-42(3)61(43(4)28-40)65(62-44(5)29-41(2)30-45(62)6)56-14-10-13-52(33-56)51-12-9-11-50(32-51)48-17-22-54(23-18-48)63-35-46-31-47(36-63)38-64(37-46,39-63)55-24-19-49(20-25-55)53-21-26-60-58(34-53)57-15-7-8-16-59(57)66-60/h2*7-31,33-34,46-47H,32,35-39H2,1-6H3;7-30,32-34,46-47H,31,35-39H2,1-6H3
InChIKeyJRVVHHZYDPHSLP-UHFFFAOYSA-N
MW2597.10 g/mol
LogP45.17
Rot. Bonds24

About [3-[3-[4-[3-(4-dibenzofuran-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-2-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane

[3-[3-[4-[3-(4-dibenzofuran-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-2-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane (PubChem CID 159005356) has the molecular formula C192H177B3OS2 and a molecular weight of 2597.10 g/mol. Its IUPAC name is [3-[3-[4-[3-(4-dibenzofuran-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-2-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane.

Molecular Properties

Compound Name[3-[3-[4-[3-(4-dibenzofuran-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-2-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane
PubChem CID159005356
Molecular FormulaC192H177B3OS2
Molecular Weight2597.10 g/mol
Exact Mass2595.35
IUPAC Name[3-[3-[4-[3-(4-dibenzofuran-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-2-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2cccc(-c3cccc(-c4ccc(C56CC7CC(C5)CC(c5ccc(-c8ccc9sc%10ccccc%10c9c8)cc5)(C7)C6)cc4)c3)c2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(B(c2cccc(-c3cccc(-c4ccc(C56CC7CC(C5)CC(c5ccc(-c8cccc9c8oc8ccccc89)cc5)(C7)C6)cc4)c3)c2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(B(c2cccc(-c3cccc(-c4ccc(C56CC7CC(C5)CC(c5ccc(-c8cccc9c8sc8ccccc89)cc5)(C7)C6)cc4)c3)c2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C64H59BO.2C64H59BS/c2*1-40-28-42(3)60(43(4)29-40)65(61-44(5)30-41(2)31-45(61)6)55-15-10-14-52(34-55)51-13-9-12-50(33-51)48-20-24-53(25-21-48)63-35-46-32-47(36-63)38-64(37-46,39-63)54-26-22-49(23-27-54)56-17-11-18-58-57-16-7-8-19-59(57)66-62(56)58;1-40-27-42(3)61(43(4)28-40)65(62-44(5)29-41(2)30-45(62)6)56-14-10-13-52(33-56)51-12-9-11-50(32-51)48-17-22-54(23-18-48)63-35-46-31-47(36-63)38-64(37-46,39-63)55-24-19-49(20-25-55)53-21-26-60-58(34-53)57-15-7-8-16-59(57)66-60/h2*7-31,33-34,46-47H,32,35-39H2,1-6H3;7-30,32-34,46-47H,31,35-39H2,1-6H3
InChIKeyJRVVHHZYDPHSLP-UHFFFAOYSA-N
XLogP45.17
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms198
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002597.10
LogP ≤ 545.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-[3-[4-[3-(4-dibenzofuran-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-2-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane with MolForge

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Related Compounds

2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazine
CID 169054853
4-(2-methylphenyl)dibenzofuran;4-(3-methylphenyl)dibenzofuran;4-(4-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
CID 158800046
4-[3-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene;2-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 158785351
(3-dibenzothiophen-4-ylphenyl)-bis(2,4,6-trimethylphenyl)borane
CID 122376566
4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
CID 158111097
2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-dibenzothiophen-4-yl-6-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine
CID 169054811
2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;2-(4-methylphenyl)dibenzofuran;4-(4-methylphenyl)dibenzofuran;2-(4-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
CID 158418392
4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene
CID 160970567
13,27-bis(3-dibenzothiophen-4-ylphenyl)-20-oxanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene;13,27-bis(3-dibenzothiophen-4-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene;4-(27-dibenzofuran-4-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)dibenzofuran;13,27-di(dibenzothiophen-2-yl)-20-oxanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene;13,27-di(dibenzothiophen-4-yl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene
CID 160796872
2-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]dibenzofuran;4-[6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]dibenzofuran;4-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzothiophene;4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzothiophene;4-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzothiophene
CID 158929637
[4-[3-[4-[3-[3-bis(2,4,6-trimethylphenyl)boranylphenyl]phenyl]phenyl]-1-adamantyl]phenyl]-diphenylphosphane;[3-[3-[4-[3-(4-diphenylphosphorylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 157290228
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene
CID 160693939

Frequently Asked Questions

What is the IUPAC name of [3-[3-[4-[3-(4-dibenzofuran-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-2-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The IUPAC name of [3-[3-[4-[3-(4-dibenzofuran-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-2-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane (CID 159005356) is [3-[3-[4-[3-(4-dibenzofuran-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-2-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane.
What is the SMILES notation for [3-[3-[4-[3-(4-dibenzofuran-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-2-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The canonical SMILES for [3-[3-[4-[3-(4-dibenzofuran-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-2-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane is Cc1cc(C)c(B(c2cccc(-c3cccc(-c4ccc(C56CC7CC(C5)CC(c5ccc(-c8ccc9sc%10ccccc%10c9c8)cc5)(C7)C6)cc4)c3)c2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(B(c2cccc(-c3cccc(-c4ccc(C56CC7CC(C5)CC(c5ccc(-c8cccc9c8oc8ccccc89)cc5)(C7)C6)cc4)c3)c2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(B(c2cccc(-c3cccc(-c4ccc(C56CC7CC(C5)CC(c5ccc(-c8cccc9c8sc8ccccc89)cc5)(C7)C6)cc4)c3)c2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of [3-[3-[4-[3-(4-dibenzofuran-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-2-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The InChIKey is JRVVHHZYDPHSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H59BO.2C64H59BS/c2*1-40-28-42(3)60(43(4)29-40)65(61-44(5)30-41(2)31-45(61)6)55-15-10-14-52(34-55)51-13-9-12-50(33-51)48-20-24-53(25-21-48)63-35-46-32-47(36-63)38-64(37-46,39-63)54-26-22-49(23-27-54)56-17-11-18-58-57-16-7-8-19-59(57)66-62(56)58;1-40-27-42(3)61(43(4)28-40)65(62-44(5)29-41(2)30-45(62)6)56-14-10-13-52(33-56)51-12-9-11-50(32-51)48-17-22-54(23-18-48)63-35-46-31-47(36-63)38-64(37-46,39-63)55-24-19-49(20-25-55)53-21-26-60-58(34-53)57-15-7-8-16-59(57)66-60/h2*7-31,33-34,46-47H,32,35-39H2,1-6H3;7-30,32-34,46-47H,31,35-39H2,1-6H3.
What are the key properties of [3-[3-[4-[3-(4-dibenzofuran-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-2-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
[3-[3-[4-[3-(4-dibenzofuran-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-2-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane has a molecular weight of 2597.10 g/mol, XLogP of 45.17, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[4-[3-(4-dibenzofuran-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-2-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane;[3-[3-[4-[3-(4-dibenzothiophen-4-ylphenyl)-1-adamantyl]phenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane is sourced from PubChem (CID 159005356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).