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

C209H140S4 — CID 164977709

IUPAC2-[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
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)ccc23)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)c4sc5c(-c6cccc(-c7ccc8c(-c9ccccc9)c9ccccc9c(-c9ccccc9)c8c7)c6)cc(-c6ccc7ccccc7c6)cc5c4c3)c2)cc1
InChIInChI=1S/C72H46S.C48H36S.C45H30S.C44H28S/c1-5-19-47(20-6-1)53-29-17-31-55(39-53)59-43-64(49-22-7-2-8-23-49)71-67(45-59)68-46-60(56-36-35-48-21-13-14-28-52(48)40-56)44-65(72(68)73-71)58-32-18-30-54(41-58)57-37-38-63-66(42-57)70(51-26-11-4-12-27-51)62-34-16-15-33-61(62)69(63)50-24-9-3-10-25-50;1-48(2,3)37-24-20-32(21-25-37)47-40-18-8-7-17-39(40)46(31-12-5-4-6-13-31)41-26-22-35(30-43(41)47)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)45-38-16-6-5-15-37(38)44(30-10-3-2-4-11-30)39-24-22-34(28-41(39)45)32-12-9-13-33(26-32)35-23-25-43-40(27-35)36-14-7-8-17-42(36)46-43;1-3-12-29(13-4-1)43-36-19-7-8-20-37(36)44(30-14-5-2-6-15-30)40-28-33(22-24-38(40)43)31-16-11-17-32(26-31)34-23-25-42-39(27-34)35-18-9-10-21-41(35)45-42/h1-46H;4-30H,1-3H3;2-28H,1H3;1-28H
InChIKeyFAGLJRYEDHSOQO-UHFFFAOYSA-N
MW2779.69 g/mol
LogP61.54
Rot. Bonds20

About 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

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 (PubChem CID 164977709) has the molecular formula C209H140S4 and a molecular weight of 2779.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID164977709
Molecular FormulaC209H140S4
Molecular Weight2779.69 g/mol
Exact Mass2776.98
IUPAC Name2-[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
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)ccc23)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)c4sc5c(-c6cccc(-c7ccc8c(-c9ccccc9)c9ccccc9c(-c9ccccc9)c8c7)c6)cc(-c6ccc7ccccc7c6)cc5c4c3)c2)cc1
InChIInChI=1S/C72H46S.C48H36S.C45H30S.C44H28S/c1-5-19-47(20-6-1)53-29-17-31-55(39-53)59-43-64(49-22-7-2-8-23-49)71-67(45-59)68-46-60(56-36-35-48-21-13-14-28-52(48)40-56)44-65(72(68)73-71)58-32-18-30-54(41-58)57-37-38-63-66(42-57)70(51-26-11-4-12-27-51)62-34-16-15-33-61(62)69(63)50-24-9-3-10-25-50;1-48(2,3)37-24-20-32(21-25-37)47-40-18-8-7-17-39(40)46(31-12-5-4-6-13-31)41-26-22-35(30-43(41)47)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)45-38-16-6-5-15-37(38)44(30-10-3-2-4-11-30)39-24-22-34(28-41(39)45)32-12-9-13-33(26-32)35-23-25-43-40(27-35)36-14-7-8-17-42(36)46-43;1-3-12-29(13-4-1)43-36-19-7-8-20-37(36)44(30-14-5-2-6-15-30)40-28-33(22-24-38(40)43)31-16-11-17-32(26-31)34-23-25-42-39(27-34)35-18-9-10-21-41(35)45-42/h1-46H;4-30H,1-3H3;2-28H,1H3;1-28H
InChIKeyFAGLJRYEDHSOQO-UHFFFAOYSA-N
XLogP61.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms213
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002779.69
LogP ≤ 561.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 23154901
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
2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 158638548
4-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,6-diphenyldibenzothiophene
CID 58261967
2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene
CID 59195540
3-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 158994497
2-tert-butyl-9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-(2-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene;9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 157283651
2-tert-butyl-9-naphthalen-2-yl-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 58965769
2-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 165035100
3-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;3-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 158408767
9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 58590190

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)ccc23)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)c4sc5c(-c6cccc(-c7ccc8c(-c9ccccc9)c9ccccc9c(-c9ccccc9)c8c7)c6)cc(-c6ccc7ccccc7c6)cc5c4c3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is FAGLJRYEDHSOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46S.C48H36S.C45H30S.C44H28S/c1-5-19-47(20-6-1)53-29-17-31-55(39-53)59-43-64(49-22-7-2-8-23-49)71-67(45-59)68-46-60(56-36-35-48-21-13-14-28-52(48)40-56)44-65(72(68)73-71)58-32-18-30-54(41-58)57-37-38-63-66(42-57)70(51-26-11-4-12-27-51)62-34-16-15-33-61(62)69(63)50-24-9-3-10-25-50;1-48(2,3)37-24-20-32(21-25-37)47-40-18-8-7-17-39(40)46(31-12-5-4-6-13-31)41-26-22-35(30-43(41)47)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)45-38-16-6-5-15-37(38)44(30-10-3-2-4-11-30)39-24-22-34(28-41(39)45)32-12-9-13-33(26-32)35-23-25-43-40(27-35)36-14-7-8-17-42(36)46-43;1-3-12-29(13-4-1)43-36-19-7-8-20-37(36)44(30-14-5-2-6-15-30)40-28-33(22-24-38(40)43)31-16-11-17-32(26-31)34-23-25-42-39(27-34)35-18-9-10-21-41(35)45-42/h1-46H;4-30H,1-3H3;2-28H,1H3;1-28H.
What are the key properties of 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?
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 has a molecular weight of 2779.69 g/mol, XLogP of 61.54, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164977709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).