2,8-di(phenanthren-9-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(2-phenylphenyl)dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)dibenzothiophene

C163H104S3 — CID 161219354

IUPAC2,8-di(phenanthren-9-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(2-phenylphenyl)dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)dibenzothiophene
SMILESc1ccc(-c2cccc(-c3cccc4c3sc3c(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)cccc34)c2)cc1.c1ccc(-c2ccccc2-c2cccc3c2sc2c(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)cccc23)cc1.c1ccc(C2(c3cccc(-c4cc(-c5cc6ccccc6c6ccccc56)cc5c4sc4ccc(-c6cc7ccccc7c7ccccc67)cc45)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C65H40S.2C49H32S/c1-2-20-46(21-3-1)65(61-31-14-12-29-54(61)55-30-13-15-32-62(55)65)47-22-16-19-41(35-47)58-39-45(57-37-43-18-5-7-24-49(43)51-26-9-11-28-53(51)57)40-60-59-38-44(33-34-63(59)66-64(58)60)56-36-42-17-4-6-23-48(42)50-25-8-10-27-52(50)56;1-3-15-33(16-4-1)34-17-11-18-35(31-34)39-25-13-27-43-44-28-14-26-40(48(44)50-47(39)43)36-19-12-22-38(32-36)49(37-20-5-2-6-21-37)45-29-9-7-23-41(45)42-24-8-10-30-46(42)49;1-3-16-33(17-4-1)37-22-7-8-23-39(37)42-27-15-29-44-43-28-14-26-38(47(43)50-48(42)44)34-18-13-21-36(32-34)49(35-19-5-2-6-20-35)45-30-11-9-24-40(45)41-25-10-12-31-46(41)49/h1-40H;2*1-32H
InChIKeyUXHLIVZFBBUJDC-UHFFFAOYSA-N
MW2158.83 g/mol
LogP44.87
Rot. Bonds15

About 2,8-di(phenanthren-9-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(2-phenylphenyl)dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)dibenzothiophene

2,8-di(phenanthren-9-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(2-phenylphenyl)dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)dibenzothiophene (PubChem CID 161219354) has the molecular formula C163H104S3 and a molecular weight of 2158.83 g/mol. Its IUPAC name is 2,8-di(phenanthren-9-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(2-phenylphenyl)dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)dibenzothiophene.

Molecular Properties

Compound Name2,8-di(phenanthren-9-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(2-phenylphenyl)dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)dibenzothiophene
PubChem CID161219354
Molecular FormulaC163H104S3
Molecular Weight2158.83 g/mol
Exact Mass2156.73
IUPAC Name2,8-di(phenanthren-9-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(2-phenylphenyl)dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)dibenzothiophene
SMILESc1ccc(-c2cccc(-c3cccc4c3sc3c(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)cccc34)c2)cc1.c1ccc(-c2ccccc2-c2cccc3c2sc2c(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)cccc23)cc1.c1ccc(C2(c3cccc(-c4cc(-c5cc6ccccc6c6ccccc56)cc5c4sc4ccc(-c6cc7ccccc7c7ccccc67)cc45)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C65H40S.2C49H32S/c1-2-20-46(21-3-1)65(61-31-14-12-29-54(61)55-30-13-15-32-62(55)65)47-22-16-19-41(35-47)58-39-45(57-37-43-18-5-7-24-49(43)51-26-9-11-28-53(51)57)40-60-59-38-44(33-34-63(59)66-64(58)60)56-36-42-17-4-6-23-48(42)50-25-8-10-27-52(50)56;1-3-15-33(16-4-1)34-17-11-18-35(31-34)39-25-13-27-43-44-28-14-26-40(48(44)50-47(39)43)36-19-12-22-38(32-36)49(37-20-5-2-6-21-37)45-29-9-7-23-41(45)42-24-8-10-30-46(42)49;1-3-16-33(17-4-1)37-22-7-8-23-39(37)42-27-15-29-44-43-28-14-26-38(47(43)50-48(42)44)34-18-13-21-36(32-34)49(35-19-5-2-6-20-35)45-30-11-9-24-40(45)41-25-10-12-31-46(41)49/h1-40H;2*1-32H
InChIKeyUXHLIVZFBBUJDC-UHFFFAOYSA-N
XLogP44.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms166
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002158.83
LogP ≤ 544.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,8-di(phenanthren-9-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(2-phenylphenyl)dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)dibenzothiophene with MolForge

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Related Compounds

4-[3-[9-(3-dibenzofuran-4-ylphenyl)fluoren-9-yl]phenyl]dibenzofuran;4-[4-[9-(4-dibenzofuran-4-ylphenyl)fluoren-9-yl]phenyl]dibenzofuran;4-[3-[9-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]fluoren-9-yl]phenyl]-2,8-diphenyldibenzothiophene
CID 159271691
4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene
CID 157203788
4-[3-[3-[9-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-[4-[9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-(9-phenylfluoren-9-yl)phenyl]-2,8-bis(3-phenylphenyl)dibenzothiophene
CID 161019280
4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115866
2,8-bis(4-tert-butylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzothiophene;4-(4-phenanthren-9-ylphenyl)-2,8-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 158328183
9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene
CID 123590616
2-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]-4-triphenylen-2-yldibenzothiophene
CID 166739913
2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene
CID 134203852
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166024839
2-(3-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166024913
4-[3-(3-phenanthren-9-ylphenyl)phenyl]dibenzothiophene
CID 87423549
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922

Frequently Asked Questions

What is the IUPAC name of 2,8-di(phenanthren-9-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(2-phenylphenyl)dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)dibenzothiophene?
The IUPAC name of 2,8-di(phenanthren-9-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(2-phenylphenyl)dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)dibenzothiophene (CID 161219354) is 2,8-di(phenanthren-9-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(2-phenylphenyl)dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)dibenzothiophene.
What is the SMILES notation for 2,8-di(phenanthren-9-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(2-phenylphenyl)dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)dibenzothiophene?
The canonical SMILES for 2,8-di(phenanthren-9-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(2-phenylphenyl)dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)dibenzothiophene is c1ccc(-c2cccc(-c3cccc4c3sc3c(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)cccc34)c2)cc1.c1ccc(-c2ccccc2-c2cccc3c2sc2c(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)cccc23)cc1.c1ccc(C2(c3cccc(-c4cc(-c5cc6ccccc6c6ccccc56)cc5c4sc4ccc(-c6cc7ccccc7c7ccccc67)cc45)c3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2,8-di(phenanthren-9-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(2-phenylphenyl)dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)dibenzothiophene?
The InChIKey is UXHLIVZFBBUJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40S.2C49H32S/c1-2-20-46(21-3-1)65(61-31-14-12-29-54(61)55-30-13-15-32-62(55)65)47-22-16-19-41(35-47)58-39-45(57-37-43-18-5-7-24-49(43)51-26-9-11-28-53(51)57)40-60-59-38-44(33-34-63(59)66-64(58)60)56-36-42-17-4-6-23-48(42)50-25-8-10-27-52(50)56;1-3-15-33(16-4-1)34-17-11-18-35(31-34)39-25-13-27-43-44-28-14-26-40(48(44)50-47(39)43)36-19-12-22-38(32-36)49(37-20-5-2-6-21-37)45-29-9-7-23-41(45)42-24-8-10-30-46(42)49;1-3-16-33(17-4-1)37-22-7-8-23-39(37)42-27-15-29-44-43-28-14-26-38(47(43)50-48(42)44)34-18-13-21-36(32-34)49(35-19-5-2-6-20-35)45-30-11-9-24-40(45)41-25-10-12-31-46(41)49/h1-40H;2*1-32H.
What are the key properties of 2,8-di(phenanthren-9-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(2-phenylphenyl)dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)dibenzothiophene?
2,8-di(phenanthren-9-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(2-phenylphenyl)dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)dibenzothiophene has a molecular weight of 2158.83 g/mol, XLogP of 44.87, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-di(phenanthren-9-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(2-phenylphenyl)dibenzothiophene;4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)dibenzothiophene is sourced from PubChem (CID 161219354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).