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

C171H115F5N2O4SSe4 — CID 160816351

IUPAC3,6-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
SMILESCC(C)(C)c1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(C(C)(C)C)c5ccccc45)cccc23)c2ccccc12.Cc1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(C)c5ccccc45)cccc23)c2ccccc12.Cc1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(S(F)(F)(F)(F)F)c5ccccc45)cccc23)c2ccccc12.O=[N+]([O-])c1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c([N+](=O)[O-])c5ccccc45)cccc23)c2ccccc12
InChIInChI=1S/C48H40Se.C42H28Se.C41H25F5SSe.C40H22N2O4Se/c1-47(2,3)44-35-20-11-7-16-31(35)42(32-17-8-12-21-36(32)44)29-26-27-30-39-24-15-25-40(46(39)49-41(30)28-29)43-33-18-9-13-22-37(33)45(48(4,5)6)38-23-14-10-19-34(38)43;1-25-28-12-3-7-16-33(28)40(34-17-8-4-13-29(25)34)27-22-23-32-37-20-11-21-38(42(37)43-39(32)24-27)41-35-18-9-5-14-30(35)26(2)31-15-6-10-19-36(31)41;1-24-26-11-2-4-13-29(26)38(30-14-5-3-12-27(24)30)25-21-22-28-35-19-10-20-36(41(35)48-37(28)23-25)39-31-15-6-8-17-33(31)40(47(42,43,44,45)46)34-18-9-7-16-32(34)39;43-41(44)38-29-14-5-1-10-25(29)36(26-11-2-6-15-30(26)38)23-20-21-24-33-18-9-19-34(40(33)47-35(24)22-23)37-27-12-3-7-16-31(27)39(42(45)46)32-17-8-4-13-28(32)37/h7-28H,1-6H3;3-24H,1-2H3;2-23H,1H3;1-22H
InChIKeySEYNWCHMNZSAMO-UHFFFAOYSA-N
MW2704.71 g/mol
LogP49.98
Rot. Bonds11

About 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

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 (PubChem CID 160816351) has the molecular formula C171H115F5N2O4SSe4 and a molecular weight of 2704.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,6-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
PubChem CID160816351
Molecular FormulaC171H115F5N2O4SSe4
Molecular Weight2704.71 g/mol
Exact Mass2706.52
IUPAC Name3,6-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
SMILESCC(C)(C)c1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(C(C)(C)C)c5ccccc45)cccc23)c2ccccc12.Cc1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(C)c5ccccc45)cccc23)c2ccccc12.Cc1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(S(F)(F)(F)(F)F)c5ccccc45)cccc23)c2ccccc12.O=[N+]([O-])c1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c([N+](=O)[O-])c5ccccc45)cccc23)c2ccccc12
InChIInChI=1S/C48H40Se.C42H28Se.C41H25F5SSe.C40H22N2O4Se/c1-47(2,3)44-35-20-11-7-16-31(35)42(32-17-8-12-21-36(32)44)29-26-27-30-39-24-15-25-40(46(39)49-41(30)28-29)43-33-18-9-13-22-37(33)45(48(4,5)6)38-23-14-10-19-34(38)43;1-25-28-12-3-7-16-33(28)40(34-17-8-4-13-29(25)34)27-22-23-32-37-20-11-21-38(42(37)43-39(32)24-27)41-35-18-9-5-14-30(35)26(2)31-15-6-10-19-36(31)41;1-24-26-11-2-4-13-29(26)38(30-14-5-3-12-27(24)30)25-21-22-28-35-19-10-20-36(41(35)48-37(28)23-25)39-31-15-6-8-17-33(31)40(47(42,43,44,45)46)34-18-9-7-16-32(34)39;43-41(44)38-29-14-5-1-10-25(29)36(26-11-2-6-15-30(26)38)23-20-21-24-33-18-9-19-34(40(33)47-35(24)22-23)37-27-12-3-7-16-31(27)39(42(45)46)32-17-8-4-13-28(32)37/h7-28H,1-6H3;3-24H,1-2H3;2-23H,1H3;1-22H
InChIKeySEYNWCHMNZSAMO-UHFFFAOYSA-N
XLogP49.98
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms187
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002704.71
LogP ≤ 549.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 161194508
2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]dibenzothiophene
CID 161388105
2-[10-(3-tert-butyl-5-ethylphenyl)anthracen-9-yl]-6-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzoselenophene
CID 158735479
6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159680048
2-methyl-5-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan
CID 161168081
8-(10-methylanthracen-9-yl)-1-[10-(trifluoromethyl)anthracen-9-yl]dibenzofuran
CID 166706186
6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 157102441

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(C(C)(C)C)c5ccccc45)cccc23)c2ccccc12.Cc1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(C)c5ccccc45)cccc23)c2ccccc12.Cc1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c(S(F)(F)(F)(F)F)c5ccccc45)cccc23)c2ccccc12.O=[N+]([O-])c1c2ccccc2c(-c2ccc3c(c2)[se]c2c(-c4c5ccccc5c([N+](=O)[O-])c5ccccc45)cccc23)c2ccccc12.
What is the InChIKey of 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?
The InChIKey is SEYNWCHMNZSAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40Se.C42H28Se.C41H25F5SSe.C40H22N2O4Se/c1-47(2,3)44-35-20-11-7-16-31(35)42(32-17-8-12-21-36(32)44)29-26-27-30-39-24-15-25-40(46(39)49-41(30)28-29)43-33-18-9-13-22-37(33)45(48(4,5)6)38-23-14-10-19-34(38)43;1-25-28-12-3-7-16-33(28)40(34-17-8-4-13-29(25)34)27-22-23-32-37-20-11-21-38(42(37)43-39(32)24-27)41-35-18-9-5-14-30(35)26(2)31-15-6-10-19-36(31)41;1-24-26-11-2-4-13-29(26)38(30-14-5-3-12-27(24)30)25-21-22-28-35-19-10-20-36(41(35)48-37(28)23-25)39-31-15-6-8-17-33(31)40(47(42,43,44,45)46)34-18-9-7-16-32(34)39;43-41(44)38-29-14-5-1-10-25(29)36(26-11-2-6-15-30(26)38)23-20-21-24-33-18-9-19-34(40(33)47-35(24)22-23)37-27-12-3-7-16-31(27)39(42(45)46)32-17-8-4-13-28(32)37/h7-28H,1-6H3;3-24H,1-2H3;2-23H,1H3;1-22H.
What are the key properties of 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?
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 has a molecular weight of 2704.71 g/mol, XLogP of 49.98, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160816351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).