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

C143H98S3 — CID 160759480

IUPAC2-[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
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)ccc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)ccc23)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)cc34)c2)cc1
InChIInChI=1S/C50H32S.C48H36S.C45H30S/c1-3-13-33(14-4-1)35-17-12-20-40(30-35)50-43-23-8-7-22-42(43)49(34-15-5-2-6-16-34)44-27-25-38(32-46(44)50)36-18-11-19-37(29-36)39-26-28-48-45(31-39)41-21-9-10-24-47(41)51-48;1-48(2,3)37-24-20-32(21-25-37)46-39-17-7-8-18-40(39)47(31-12-5-4-6-13-31)43-30-35(22-26-41(43)46)33-14-11-15-34(28-33)36-23-27-45-42(29-36)38-16-9-10-19-44(38)49-45;1-29-18-20-31(21-19-29)44-37-15-5-6-16-38(37)45(30-10-3-2-4-11-30)41-28-34(22-24-39(41)44)32-12-9-13-33(26-32)35-23-25-43-40(27-35)36-14-7-8-17-42(36)46-43/h1-32H;4-30H,1-3H3;2-28H,1H3
InChIKeyRXWFZHCNNAQXGI-UHFFFAOYSA-N
MW1912.56 g/mol
LogP42.36
Rot. Bonds13

About 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

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 (PubChem CID 160759480) has the molecular formula C143H98S3 and a molecular weight of 1912.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID160759480
Molecular FormulaC143H98S3
Molecular Weight1912.56 g/mol
Exact Mass1910.68
IUPAC Name2-[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
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)ccc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)ccc23)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)cc34)c2)cc1
InChIInChI=1S/C50H32S.C48H36S.C45H30S/c1-3-13-33(14-4-1)35-17-12-20-40(30-35)50-43-23-8-7-22-42(43)49(34-15-5-2-6-16-34)44-27-25-38(32-46(44)50)36-18-11-19-37(29-36)39-26-28-48-45(31-39)41-21-9-10-24-47(41)51-48;1-48(2,3)37-24-20-32(21-25-37)46-39-17-7-8-18-40(39)47(31-12-5-4-6-13-31)43-30-35(22-26-41(43)46)33-14-11-15-34(28-33)36-23-27-45-42(29-36)38-16-9-10-19-44(38)49-45;1-29-18-20-31(21-19-29)44-37-15-5-6-16-38(37)45(30-10-3-2-4-11-30)41-28-34(22-24-39(41)44)32-12-9-13-33(26-32)35-23-25-43-40(27-35)36-14-7-8-17-42(36)46-43/h1-32H;4-30H,1-3H3;2-28H,1H3
InChIKeyRXWFZHCNNAQXGI-UHFFFAOYSA-N
XLogP42.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001912.56
LogP ≤ 542.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
2-(7-dibenzothiophen-2-yl-9,10-diphenylanthracen-2-yl)dibenzothiophene
CID 59745938
2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene
CID 153438373
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene
CID 58672219
2-[3-[9-(4-tert-butylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzofuran;2-[3-(9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran;2-[3-[9-(4-methylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzofuran
CID 161222040
2-(4-tert-butylphenyl)-8-[6-(3-phenylphenyl)-9,10-di(propan-2-yl)anthracen-2-yl]dibenzothiophene
CID 90262346
9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 58590190
2-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 171056615
2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene
CID 59195540
4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261875
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)ccc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)ccc23)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)cc34)c2)cc1.
What is the InChIKey of 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?
The InChIKey is RXWFZHCNNAQXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32S.C48H36S.C45H30S/c1-3-13-33(14-4-1)35-17-12-20-40(30-35)50-43-23-8-7-22-42(43)49(34-15-5-2-6-16-34)44-27-25-38(32-46(44)50)36-18-11-19-37(29-36)39-26-28-48-45(31-39)41-21-9-10-24-47(41)51-48;1-48(2,3)37-24-20-32(21-25-37)46-39-17-7-8-18-40(39)47(31-12-5-4-6-13-31)43-30-35(22-26-41(43)46)33-14-11-15-34(28-33)36-23-27-45-42(29-36)38-16-9-10-19-44(38)49-45;1-29-18-20-31(21-19-29)44-37-15-5-6-16-38(37)45(30-10-3-2-4-11-30)41-28-34(22-24-39(41)44)32-12-9-13-33(26-32)35-23-25-43-40(27-35)36-14-7-8-17-42(36)46-43/h1-32H;4-30H,1-3H3;2-28H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1912.56 g/mol, XLogP of 42.36, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160759480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).