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

C298H203NO2Se6 — CID 157303542

IUPAC3-[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
SMILESCC(C)(C)c1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cccc23)c2ccccc12.Cc1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cccc23)c2ccccc12.Cc1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cccc23)c2ccccc12.O=[N+]([O-])c1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cccc23)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(C6C7CC8CC(C7)CC6C8)c6ccccc56)ccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(C6CCCCC6)c6ccccc56)ccc34)c3ccccc23)cc1
InChIInChI=1S/C56H42Se.C52H38Se.C50H36Se.2C47H30Se.C46H27NO2Se/c1-2-13-35(14-3-1)52-40-15-4-8-19-44(40)54(45-20-9-5-16-41(45)52)49-24-12-23-48-39-26-25-36(32-50(39)57-56(48)49)53-42-17-6-10-21-46(42)55(47-22-11-7-18-43(47)53)51-37-28-33-27-34(30-37)31-38(51)29-33;1-3-16-33(17-4-1)48-37-20-7-9-22-39(37)50(40-23-10-8-21-38(40)48)35-30-31-36-45-28-15-29-46(52(45)53-47(36)32-35)51-43-26-13-11-24-41(43)49(34-18-5-2-6-19-34)42-25-12-14-27-44(42)51;1-50(2,3)48-40-24-13-11-22-38(40)46(39-23-12-14-25-41(39)48)32-28-29-33-42-26-15-27-43(49(42)51-44(33)30-32)47-36-20-9-7-18-34(36)45(31-16-5-4-6-17-31)35-19-8-10-21-37(35)47;2*1-29-32-16-5-7-18-35(32)45(36-19-8-6-17-33(29)36)31-26-27-34-41-24-13-25-42(47(41)48-43(34)28-31)46-39-22-11-9-20-37(39)44(30-14-3-2-4-15-30)38-21-10-12-23-40(38)46;48-47(49)45-37-21-10-8-19-35(37)43(36-20-9-11-22-38(36)45)29-25-26-30-39-23-12-24-40(46(39)50-41(30)27-29)44-33-17-6-4-15-31(33)42(28-13-2-1-3-14-28)32-16-5-7-18-34(32)44/h1-26,32-34,37-38,51H,27-31H2;2,5-15,18-33H,1,3-4,16-17H2;4-30H,1-3H3;2*2-28H,1H3;1-27H
InChIKeyBCEJLYZETNUBLF-UHFFFAOYSA-N
MW4303.67 g/mol
LogP82.39
Rot. Bonds21

About 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

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 (PubChem CID 157303542) has the molecular formula C298H203NO2Se6 and a molecular weight of 4303.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID157303542
Molecular FormulaC298H203NO2Se6
Molecular Weight4303.67 g/mol
Exact Mass4306.08
IUPAC Name3-[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
SMILESCC(C)(C)c1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cccc23)c2ccccc12.Cc1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cccc23)c2ccccc12.Cc1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cccc23)c2ccccc12.O=[N+]([O-])c1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cccc23)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(C6C7CC8CC(C7)CC6C8)c6ccccc56)ccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(C6CCCCC6)c6ccccc56)ccc34)c3ccccc23)cc1
InChIInChI=1S/C56H42Se.C52H38Se.C50H36Se.2C47H30Se.C46H27NO2Se/c1-2-13-35(14-3-1)52-40-15-4-8-19-44(40)54(45-20-9-5-16-41(45)52)49-24-12-23-48-39-26-25-36(32-50(39)57-56(48)49)53-42-17-6-10-21-46(42)55(47-22-11-7-18-43(47)53)51-37-28-33-27-34(30-37)31-38(51)29-33;1-3-16-33(17-4-1)48-37-20-7-9-22-39(37)50(40-23-10-8-21-38(40)48)35-30-31-36-45-28-15-29-46(52(45)53-47(36)32-35)51-43-26-13-11-24-41(43)49(34-18-5-2-6-19-34)42-25-12-14-27-44(42)51;1-50(2,3)48-40-24-13-11-22-38(40)46(39-23-12-14-25-41(39)48)32-28-29-33-42-26-15-27-43(49(42)51-44(33)30-32)47-36-20-9-7-18-34(36)45(31-16-5-4-6-17-31)35-19-8-10-21-37(35)47;2*1-29-32-16-5-7-18-35(32)45(36-19-8-6-17-33(29)36)31-26-27-34-41-24-13-25-42(47(41)48-43(34)28-31)46-39-22-11-9-20-37(39)44(30-14-3-2-4-15-30)38-21-10-12-23-40(38)46;48-47(49)45-37-21-10-8-19-35(37)43(36-20-9-11-22-38(36)45)29-25-26-30-39-23-12-24-40(46(39)50-41(30)27-29)44-33-17-6-4-15-31(33)42(28-13-2-1-3-14-28)32-16-5-7-18-34(32)44/h1-26,32-34,37-38,51H,27-31H2;2,5-15,18-33H,1,3-4,16-17H2;4-30H,1-3H3;2*2-28H,1H3;1-27H
InChIKeyBCEJLYZETNUBLF-UHFFFAOYSA-N
XLogP82.39
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms307
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004303.67
LogP ≤ 582.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

3,6-bis(10-tert-butylanthracen-9-yl)dibenzoselenophene;3,6-bis(10-methylanthracen-9-yl)dibenzoselenophene;3,6-bis(10-nitroanthracen-9-yl)dibenzoselenophene;pentafluoro-[10-[7-(10-methylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]-λ6-sulfane
CID 160816351
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
6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 157102441
2,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene
CID 160966210
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
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-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158253863
[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl] nitrate
CID 168748463
6-[10-(2-isocyanophenyl)anthracen-9-yl]-3-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159872213
3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran
CID 162445716
9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene
CID 157309087
2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 161194508

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cccc23)c2ccccc12.Cc1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cccc23)c2ccccc12.Cc1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cccc23)c2ccccc12.O=[N+]([O-])c1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cccc23)c2ccccc12.c1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(C6C7CC8CC(C7)CC6C8)c6ccccc56)ccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(C6CCCCC6)c6ccccc56)ccc34)c3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is BCEJLYZETNUBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42Se.C52H38Se.C50H36Se.2C47H30Se.C46H27NO2Se/c1-2-13-35(14-3-1)52-40-15-4-8-19-44(40)54(45-20-9-5-16-41(45)52)49-24-12-23-48-39-26-25-36(32-50(39)57-56(48)49)53-42-17-6-10-21-46(42)55(47-22-11-7-18-43(47)53)51-37-28-33-27-34(30-37)31-38(51)29-33;1-3-16-33(17-4-1)48-37-20-7-9-22-39(37)50(40-23-10-8-21-38(40)48)35-30-31-36-45-28-15-29-46(52(45)53-47(36)32-35)51-43-26-13-11-24-41(43)49(34-18-5-2-6-19-34)42-25-12-14-27-44(42)51;1-50(2,3)48-40-24-13-11-22-38(40)46(39-23-12-14-25-41(39)48)32-28-29-33-42-26-15-27-43(49(42)51-44(33)30-32)47-36-20-9-7-18-34(36)45(31-16-5-4-6-17-31)35-19-8-10-21-37(35)47;2*1-29-32-16-5-7-18-35(32)45(36-19-8-6-17-33(29)36)31-26-27-34-41-24-13-25-42(47(41)48-43(34)28-31)46-39-22-11-9-20-37(39)44(30-14-3-2-4-15-30)38-21-10-12-23-40(38)46;48-47(49)45-37-21-10-8-19-35(37)43(36-20-9-11-22-38(36)45)29-25-26-30-39-23-12-24-40(46(39)50-41(30)27-29)44-33-17-6-4-15-31(33)42(28-13-2-1-3-14-28)32-16-5-7-18-34(32)44/h1-26,32-34,37-38,51H,27-31H2;2,5-15,18-33H,1,3-4,16-17H2;4-30H,1-3H3;2*2-28H,1H3;1-27H.
What are the key properties of 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?
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 has a molecular weight of 4303.67 g/mol, XLogP of 82.39, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157303542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).