1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene

C216H176Se4 — CID 159861167

IUPAC1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene
SMILESCC(C)(C)c1c2ccccc2c(-c2cccc3c2[se]c2cccc(-c4c5ccccc5c(C(C)(C)C)c5ccccc45)c23)c2ccccc12.Cc1cccc(C)c1-c1c2ccccc2c(-c2cccc3c2[se]c2cccc(-c4c5ccccc5c(-c5c(C)cccc5C)c5ccccc45)c23)c2ccccc12.c1cc(-c2c3ccccc3c(C3C4CC5CC(C4)CC3C5)c3ccccc23)c2c(c1)[se]c1c(-c3c4ccccc4c(C4C5CC6CC(C5)CC4C6)c4ccccc34)cccc12.c1cc(-c2c3ccccc3c(C3CCCCC3)c3ccccc23)c2c(c1)[se]c1c(-c3c4ccccc4c(C4CCCCC4)c4ccccc34)cccc12
InChIInChI=1S/C60H52Se.C56H40Se.C52H44Se.C48H40Se/c1-5-15-45-41(11-1)55(42-12-2-6-16-46(42)58(45)53-37-25-33-23-34(27-37)28-38(53)26-33)49-19-10-22-52-57(49)51-21-9-20-50(60(51)61-52)56-43-13-3-7-17-47(43)59(48-18-8-4-14-44(48)56)54-39-29-35-24-36(31-39)32-40(54)30-35;1-33-17-13-18-34(2)49(33)54-41-25-9-5-21-37(41)51(38-22-6-10-26-42(38)54)45-29-16-32-48-53(45)47-31-15-30-46(56(47)57-48)52-39-23-7-11-27-43(39)55(44-28-12-8-24-40(44)52)50-35(3)19-14-20-36(50)4;1-3-17-33(18-4-1)47-35-21-7-11-25-39(35)49(40-26-12-8-22-36(40)47)43-29-16-32-46-51(43)45-31-15-30-44(52(45)53-46)50-41-27-13-9-23-37(41)48(34-19-5-2-6-20-34)38-24-10-14-28-42(38)50;1-47(2,3)44-33-21-11-7-17-29(33)41(30-18-8-12-22-34(30)44)37-25-16-28-40-43(37)39-27-15-26-38(46(39)49-40)42-31-19-9-13-23-35(31)45(48(4,5)6)36-24-14-10-20-32(36)42/h1-22,33-40,53-54H,23-32H2;5-32H,1-4H3;7-16,21-34H,1-6,17-20H2;7-28H,1-6H3
InChIKeyNRDXHKBHTNFEFX-UHFFFAOYSA-N
MW3087.62 g/mol
LogP60.32
Rot. Bonds14

About 1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene

1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene (PubChem CID 159861167) has the molecular formula C216H176Se4 and a molecular weight of 3087.62 g/mol. Its IUPAC name is 1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene.

Molecular Properties

Compound Name1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene
PubChem CID159861167
Molecular FormulaC216H176Se4
Molecular Weight3087.62 g/mol
Exact Mass3089.04
IUPAC Name1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene
SMILESCC(C)(C)c1c2ccccc2c(-c2cccc3c2[se]c2cccc(-c4c5ccccc5c(C(C)(C)C)c5ccccc45)c23)c2ccccc12.Cc1cccc(C)c1-c1c2ccccc2c(-c2cccc3c2[se]c2cccc(-c4c5ccccc5c(-c5c(C)cccc5C)c5ccccc45)c23)c2ccccc12.c1cc(-c2c3ccccc3c(C3C4CC5CC(C4)CC3C5)c3ccccc23)c2c(c1)[se]c1c(-c3c4ccccc4c(C4C5CC6CC(C5)CC4C6)c4ccccc34)cccc12.c1cc(-c2c3ccccc3c(C3CCCCC3)c3ccccc23)c2c(c1)[se]c1c(-c3c4ccccc4c(C4CCCCC4)c4ccccc34)cccc12
InChIInChI=1S/C60H52Se.C56H40Se.C52H44Se.C48H40Se/c1-5-15-45-41(11-1)55(42-12-2-6-16-46(42)58(45)53-37-25-33-23-34(27-37)28-38(53)26-33)49-19-10-22-52-57(49)51-21-9-20-50(60(51)61-52)56-43-13-3-7-17-47(43)59(48-18-8-4-14-44(48)56)54-39-29-35-24-36(31-39)32-40(54)30-35;1-33-17-13-18-34(2)49(33)54-41-25-9-5-21-37(41)51(38-22-6-10-26-42(38)54)45-29-16-32-48-53(45)47-31-15-30-46(56(47)57-48)52-39-23-7-11-27-43(39)55(44-28-12-8-24-40(44)52)50-35(3)19-14-20-36(50)4;1-3-17-33(18-4-1)47-35-21-7-11-25-39(35)49(40-26-12-8-22-36(40)47)43-29-16-32-46-51(43)45-31-15-30-44(52(45)53-46)50-41-27-13-9-23-37(41)48(34-19-5-2-6-20-34)38-24-10-14-28-42(38)50;1-47(2,3)44-33-21-11-7-17-29(33)41(30-18-8-12-22-34(30)44)37-25-16-28-40-43(37)39-27-15-26-38(46(39)49-40)42-31-19-9-13-23-35(31)45(48(4,5)6)36-24-14-10-20-32(36)42/h1-22,33-40,53-54H,23-32H2;5-32H,1-4H3;7-16,21-34H,1-6,17-20H2;7-28H,1-6H3
InChIKeyNRDXHKBHTNFEFX-UHFFFAOYSA-N
XLogP60.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms220
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003087.62
LogP ≤ 560.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene with MolForge

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Related Compounds

1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran
CID 158080872
3-[10-(2-adamantyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene;3-(10-tert-butylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene;3-(10-cyclohexylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene;bis(3-(10-methylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene);3-(10-nitroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 157303542
6-[10-(2-adamantyl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-(10-tert-butylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzofuran;6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran;6-[10-(2,6-dimethylphenyl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 158353564
2,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene
CID 160966210
6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 157102441
1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159371160
1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158350942
3,6-ditert-butyl-9-[10-[6-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
CID 159766779
6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 162445713
2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 161194508
2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan
CID 159746388
1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene
CID 158380957

Frequently Asked Questions

What is the IUPAC name of 1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene?
The IUPAC name of 1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene (CID 159861167) is 1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene.
What is the SMILES notation for 1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene?
The canonical SMILES for 1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene is CC(C)(C)c1c2ccccc2c(-c2cccc3c2[se]c2cccc(-c4c5ccccc5c(C(C)(C)C)c5ccccc45)c23)c2ccccc12.Cc1cccc(C)c1-c1c2ccccc2c(-c2cccc3c2[se]c2cccc(-c4c5ccccc5c(-c5c(C)cccc5C)c5ccccc45)c23)c2ccccc12.c1cc(-c2c3ccccc3c(C3C4CC5CC(C4)CC3C5)c3ccccc23)c2c(c1)[se]c1c(-c3c4ccccc4c(C4C5CC6CC(C5)CC4C6)c4ccccc34)cccc12.c1cc(-c2c3ccccc3c(C3CCCCC3)c3ccccc23)c2c(c1)[se]c1c(-c3c4ccccc4c(C4CCCCC4)c4ccccc34)cccc12.
What is the InChIKey of 1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene?
The InChIKey is NRDXHKBHTNFEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52Se.C56H40Se.C52H44Se.C48H40Se/c1-5-15-45-41(11-1)55(42-12-2-6-16-46(42)58(45)53-37-25-33-23-34(27-37)28-38(53)26-33)49-19-10-22-52-57(49)51-21-9-20-50(60(51)61-52)56-43-13-3-7-17-47(43)59(48-18-8-4-14-44(48)56)54-39-29-35-24-36(31-39)32-40(54)30-35;1-33-17-13-18-34(2)49(33)54-41-25-9-5-21-37(41)51(38-22-6-10-26-42(38)54)45-29-16-32-48-53(45)47-31-15-30-46(56(47)57-48)52-39-23-7-11-27-43(39)55(44-28-12-8-24-40(44)52)50-35(3)19-14-20-36(50)4;1-3-17-33(18-4-1)47-35-21-7-11-25-39(35)49(40-26-12-8-22-36(40)47)43-29-16-32-46-51(43)45-31-15-30-44(52(45)53-46)50-41-27-13-9-23-37(41)48(34-19-5-2-6-20-34)38-24-10-14-28-42(38)50;1-47(2,3)44-33-21-11-7-17-29(33)41(30-18-8-12-22-34(30)44)37-25-16-28-40-43(37)39-27-15-26-38(46(39)49-40)42-31-19-9-13-23-35(31)45(48(4,5)6)36-24-14-10-20-32(36)42/h1-22,33-40,53-54H,23-32H2;5-32H,1-4H3;7-16,21-34H,1-6,17-20H2;7-28H,1-6H3.
What are the key properties of 1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene?
1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene has a molecular weight of 3087.62 g/mol, XLogP of 60.32, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene;1,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;1,6-bis(10-cyclohexylanthracen-9-yl)dibenzoselenophene;1,6-bis[10-(2,6-dimethylphenyl)anthracen-9-yl]dibenzoselenophene is sourced from PubChem (CID 159861167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).