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

C143H106S3 — CID 159257076

IUPAC4-[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
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1.CC(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1.CCCCc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1
InChIInChI=1S/2C48H36S.C47H34S/c1-48(2,3)36-26-23-32(24-27-36)46-40-19-8-7-18-39(40)45(31-13-5-4-6-14-31)41-28-25-34(30-43(41)46)33-15-11-16-35(29-33)37-20-12-21-42-38-17-9-10-22-44(38)49-47(37)42;1-2-3-13-32-24-26-34(27-25-32)47-41-20-8-7-19-40(41)46(33-14-5-4-6-15-33)42-29-28-36(31-44(42)47)35-16-11-17-37(30-35)38-21-12-22-43-39-18-9-10-23-45(39)49-48(38)43;1-30(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/h4-30H,1-3H3;4-12,14-31H,2-3,13H2,1H3;3-30H,1-2H3
InChIKeyKWANPLNAOYKJNF-UHFFFAOYSA-N
MW1920.62 g/mol
LogP42.85
Rot. Bonds16

About 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

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 (PubChem CID 159257076) has the molecular formula C143H106S3 and a molecular weight of 1920.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID159257076
Molecular FormulaC143H106S3
Molecular Weight1920.62 g/mol
Exact Mass1918.75
IUPAC Name4-[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
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1.CC(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1.CCCCc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1
InChIInChI=1S/2C48H36S.C47H34S/c1-48(2,3)36-26-23-32(24-27-36)46-40-19-8-7-18-39(40)45(31-13-5-4-6-14-31)41-28-25-34(30-43(41)46)33-15-11-16-35(29-33)37-20-12-21-42-38-17-9-10-22-44(38)49-47(37)42;1-2-3-13-32-24-26-34(27-25-32)47-41-20-8-7-19-40(41)46(33-14-5-4-6-15-33)42-29-28-36(31-44(42)47)35-16-11-17-37(30-35)38-21-12-22-43-39-18-9-10-23-45(39)49-48(38)43;1-30(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/h4-30H,1-3H3;4-12,14-31H,2-3,13H2,1H3;3-30H,1-2H3
InChIKeyKWANPLNAOYKJNF-UHFFFAOYSA-N
XLogP42.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001920.62
LogP ≤ 542.85
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-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 with MolForge

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Related Compounds

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
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
2-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene
CID 166930500
2-[3-[10-(4-tert-butylphenyl)-9-phenylanthracen-2-yl]phenyl]dibenzothiophene;2-[3-[10-(4-methylphenyl)-9-phenylanthracen-2-yl]phenyl]dibenzothiophene;2-[3-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 160759480
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
9-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole;9-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole;9-[4-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]-3-dibenzothiophen-4-ylcarbazole
CID 158103298
2-[3-[9-(4-tert-butylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;2-[3-(9,10-diphenylanthracen-2-yl)phenyl]dibenzothiophene;4-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-naphthalen-2-yl-6-phenyl-8-(3-phenylphenyl)dibenzothiophene;2-[3-[9-(4-methylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene
CID 164977709
9,10-bis(4-hexylphenyl)-2-phenylanthracene
CID 102232961
N-(3-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064842
4-[3-[3-(3,14-ditert-butyl-19,19-dimethyl-8-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6(11),7,9,12(17),13,15-nonaenyl)phenyl]phenyl]dibenzothiophene
CID 88557536

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1.CC(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1.CCCCc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)cc1.
What is the InChIKey of 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?
The InChIKey is KWANPLNAOYKJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H36S.C47H34S/c1-48(2,3)36-26-23-32(24-27-36)46-40-19-8-7-18-39(40)45(31-13-5-4-6-14-31)41-28-25-34(30-43(41)46)33-15-11-16-35(29-33)37-20-12-21-42-38-17-9-10-22-44(38)49-47(37)42;1-2-3-13-32-24-26-34(27-25-32)47-41-20-8-7-19-40(41)46(33-14-5-4-6-15-33)42-29-28-36(31-44(42)47)35-16-11-17-37(30-35)38-21-12-22-43-39-18-9-10-23-45(39)49-48(38)43;1-30(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/h4-30H,1-3H3;4-12,14-31H,2-3,13H2,1H3;3-30H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1920.62 g/mol, XLogP of 42.85, 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-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 is sourced from PubChem (CID 159257076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).