4-[3-[9-(4-ethylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propylphenyl)anthracen-2-yl]phenyl]dibenzothiophene

C140H100S3 — CID 157361217

IUPAC4-[3-[9-(4-ethylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
SMILESCC(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1.CCCc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1.CCc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1
InChIInChI=1S/2C47H34S.C46H32S/c1-30(2)31-22-24-33(25-23-31)46-40-18-7-6-17-39(40)45(32-12-4-3-5-13-32)41-27-26-35(29-43(41)46)34-14-10-15-36(28-34)37-19-11-20-42-38-16-8-9-21-44(38)48-47(37)42;1-2-12-31-23-25-33(26-24-31)46-40-19-7-6-18-39(40)45(32-13-4-3-5-14-32)41-28-27-35(30-43(41)46)34-15-10-16-36(29-34)37-20-11-21-42-38-17-8-9-22-44(38)48-47(37)42;1-2-30-22-24-32(25-23-30)45-39-18-7-6-17-38(39)44(31-12-4-3-5-13-31)40-27-26-34(29-42(40)45)33-14-10-15-35(28-33)36-19-11-20-41-37-16-8-9-21-43(37)47-46(36)41/h3-30H,1-2H3;3-11,13-30H,2,12H2,1H3;3-29H,2H2,1H3
InChIKeyBIQVMNGLUYGWOZ-UHFFFAOYSA-N
MW1878.54 g/mol
LogP41.72
Rot. Bonds16

About 4-[3-[9-(4-ethylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propylphenyl)anthracen-2-yl]phenyl]dibenzothiophene

4-[3-[9-(4-ethylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propylphenyl)anthracen-2-yl]phenyl]dibenzothiophene (PubChem CID 157361217) has the molecular formula C140H100S3 and a molecular weight of 1878.54 g/mol. Its IUPAC name is 4-[3-[9-(4-ethylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propylphenyl)anthracen-2-yl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[3-[9-(4-ethylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
PubChem CID157361217
Molecular FormulaC140H100S3
Molecular Weight1878.54 g/mol
Exact Mass1876.70
IUPAC Name4-[3-[9-(4-ethylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
SMILESCC(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1.CCCc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1.CCc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1
InChIInChI=1S/2C47H34S.C46H32S/c1-30(2)31-22-24-33(25-23-31)46-40-18-7-6-17-39(40)45(32-12-4-3-5-13-32)41-27-26-35(29-43(41)46)34-14-10-15-36(28-34)37-19-11-20-42-38-16-8-9-21-44(38)48-47(37)42;1-2-12-31-23-25-33(26-24-31)46-40-19-7-6-18-39(40)45(32-13-4-3-5-14-32)41-28-27-35(30-43(41)46)34-15-10-16-36(29-34)37-20-11-21-42-38-17-8-9-22-44(38)48-47(37)42;1-2-30-22-24-32(25-23-30)45-39-18-7-6-17-38(39)44(31-12-4-3-5-13-31)40-27-26-34(29-42(40)45)33-14-10-15-35(28-33)36-19-11-20-41-37-16-8-9-21-43(37)47-46(36)41/h3-30H,1-2H3;3-11,13-30H,2,12H2,1H3;3-29H,2H2,1H3
InChIKeyBIQVMNGLUYGWOZ-UHFFFAOYSA-N
XLogP41.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001878.54
LogP ≤ 541.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[3-[9-(4-ethylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propylphenyl)anthracen-2-yl]phenyl]dibenzothiophene with MolForge

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Related Compounds

4-[3-[9-(4-butylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[9-(4-tert-butylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 159257076
4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261884
4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261875
4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene
CID 58323249
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
N-(3-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064842
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
CID 159617411
CID 159617411
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-phenylaniline
CID 169065539
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene
CID 160745128
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293

Frequently Asked Questions

What is the IUPAC name of 4-[3-[9-(4-ethylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propylphenyl)anthracen-2-yl]phenyl]dibenzothiophene?
The IUPAC name of 4-[3-[9-(4-ethylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propylphenyl)anthracen-2-yl]phenyl]dibenzothiophene (CID 157361217) is 4-[3-[9-(4-ethylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propylphenyl)anthracen-2-yl]phenyl]dibenzothiophene.
What is the SMILES notation for 4-[3-[9-(4-ethylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propylphenyl)anthracen-2-yl]phenyl]dibenzothiophene?
The canonical SMILES for 4-[3-[9-(4-ethylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propylphenyl)anthracen-2-yl]phenyl]dibenzothiophene is CC(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1.CCCc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1.CCc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1.
What is the InChIKey of 4-[3-[9-(4-ethylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propylphenyl)anthracen-2-yl]phenyl]dibenzothiophene?
The InChIKey is BIQVMNGLUYGWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H34S.C46H32S/c1-30(2)31-22-24-33(25-23-31)46-40-18-7-6-17-39(40)45(32-12-4-3-5-13-32)41-27-26-35(29-43(41)46)34-14-10-15-36(28-34)37-19-11-20-42-38-16-8-9-21-44(38)48-47(37)42;1-2-12-31-23-25-33(26-24-31)46-40-19-7-6-18-39(40)45(32-13-4-3-5-14-32)41-28-27-35(30-43(41)46)34-15-10-16-36(29-34)37-20-11-21-42-38-17-8-9-22-44(38)48-47(37)42;1-2-30-22-24-32(25-23-30)45-39-18-7-6-17-38(39)44(31-12-4-3-5-13-31)40-27-26-34(29-42(40)45)33-14-10-15-35(28-33)36-19-11-20-41-37-16-8-9-21-43(37)47-46(36)41/h3-30H,1-2H3;3-11,13-30H,2,12H2,1H3;3-29H,2H2,1H3.
What are the key properties of 4-[3-[9-(4-ethylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propylphenyl)anthracen-2-yl]phenyl]dibenzothiophene?
4-[3-[9-(4-ethylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propylphenyl)anthracen-2-yl]phenyl]dibenzothiophene has a molecular weight of 1878.54 g/mol, XLogP of 41.72, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[9-(4-ethylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propan-2-ylphenyl)anthracen-2-yl]phenyl]dibenzothiophene;4-[3-[10-phenyl-9-(4-propylphenyl)anthracen-2-yl]phenyl]dibenzothiophene is sourced from PubChem (CID 157361217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).