2,9-bis[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzothiole

C69H48S — CID 88889286

IUPAC2,9-bis[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzothiole
SMILESCC1(C)c2cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)ccc2-c2cc3c(cc21)sc1ccc(-c2cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c2)cc13
InChIInChI=1S/C69H48S/c1-69(2)65-42-54(50-26-16-28-52(34-50)60-39-57(47-21-11-5-12-22-47)36-58(40-60)48-23-13-6-14-24-48)29-31-61(65)62-43-64-63-41-53(30-32-67(63)70-68(64)44-66(62)69)49-25-15-27-51(33-49)59-37-55(45-17-7-3-8-18-45)35-56(38-59)46-19-9-4-10-20-46/h3-44H,1-2H3
InChIKeyQRHPZRNNPATVIZ-UHFFFAOYSA-N
MW909.21 g/mol
LogP19.70
Rot. Bonds8

About 2,9-bis[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzothiole

2,9-bis[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzothiole (PubChem CID 88889286) has the molecular formula C69H48S and a molecular weight of 909.21 g/mol. Its IUPAC name is 2,9-bis[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzothiole.

Molecular Properties

Compound Name2,9-bis[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzothiole
PubChem CID88889286
Molecular FormulaC69H48S
Molecular Weight909.21 g/mol
Exact Mass908.35
IUPAC Name2,9-bis[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzothiole
SMILESCC1(C)c2cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)ccc2-c2cc3c(cc21)sc1ccc(-c2cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c2)cc13
InChIInChI=1S/C69H48S/c1-69(2)65-42-54(50-26-16-28-52(34-50)60-39-57(47-21-11-5-12-22-47)36-58(40-60)48-23-13-6-14-24-48)29-31-61(65)62-43-64-63-41-53(30-32-67(63)70-68(64)44-66(62)69)49-25-15-27-51(33-49)59-37-55(45-17-7-3-8-18-45)35-56(38-59)46-19-9-4-10-20-46/h3-44H,1-2H3
InChIKeyQRHPZRNNPATVIZ-UHFFFAOYSA-N
XLogP19.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.21
LogP ≤ 519.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,9-bis[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzothiole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
2-(3-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 158464749
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585075
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 171582951
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 70808776
2-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 154624618
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
CID 67964547
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585529

Frequently Asked Questions

What is the IUPAC name of 2,9-bis[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzothiole?
The IUPAC name of 2,9-bis[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzothiole (CID 88889286) is 2,9-bis[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzothiole.
What is the SMILES notation for 2,9-bis[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzothiole?
The canonical SMILES for 2,9-bis[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzothiole is CC1(C)c2cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)ccc2-c2cc3c(cc21)sc1ccc(-c2cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c2)cc13.
What is the InChIKey of 2,9-bis[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzothiole?
The InChIKey is QRHPZRNNPATVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48S/c1-69(2)65-42-54(50-26-16-28-52(34-50)60-39-57(47-21-11-5-12-22-47)36-58(40-60)48-23-13-6-14-24-48)29-31-61(65)62-43-64-63-41-53(30-32-67(63)70-68(64)44-66(62)69)49-25-15-27-51(33-49)59-37-55(45-17-7-3-8-18-45)35-56(38-59)46-19-9-4-10-20-46/h3-44H,1-2H3.
What are the key properties of 2,9-bis[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzothiole?
2,9-bis[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzothiole has a molecular weight of 909.21 g/mol, XLogP of 19.70, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis[3-(3,5-diphenylphenyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzothiole is sourced from PubChem (CID 88889286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).