3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene

C31H19ClS — CID 177116952

IUPAC3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene
SMILESClc1ccc2c(c1)sc1cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)ccc12
InChIInChI=1S/C31H19ClS/c32-22-15-17-26-25-16-14-21(18-29(25)33-30(26)19-22)31(20-8-2-1-3-9-20)27-12-6-4-10-23(27)24-11-5-7-13-28(24)31/h1-19H
InChIKeyADKORBWBYPAWIG-UHFFFAOYSA-N
MW459.01 g/mol
LogP9.07
Rot. Bonds2

About 3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene

3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene (PubChem CID 177116952) has the molecular formula C31H19ClS and a molecular weight of 459.01 g/mol. Its IUPAC name is 3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene.

Molecular Properties

Compound Name3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene
PubChem CID177116952
Molecular FormulaC31H19ClS
Molecular Weight459.01 g/mol
Exact Mass458.09
IUPAC Name3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene
SMILESClc1ccc2c(c1)sc1cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)ccc12
InChIInChI=1S/C31H19ClS/c32-22-15-17-26-25-16-14-21(18-29(25)33-30(26)19-22)31(20-8-2-1-3-9-20)27-12-6-4-10-23(27)24-11-5-7-13-28(24)31/h1-19H
InChIKeyADKORBWBYPAWIG-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.01
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene 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

9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine
CID 122593297
2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146581626
2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487380
2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 170305782
2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 162487427
2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine
CID 162487301
7-(9-phenylfluoren-9-yl)-2-[3-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzothiophene
CID 163455091
9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene
CID 176760002
7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
CID 163485667
2-(2-chloro-9-phenylfluoren-9-yl)dibenzofuran
CID 142745507
N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine
CID 140919886
9,9-diphenylfluorene;methane
CID 145140147

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene?
The IUPAC name of 3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene (CID 177116952) is 3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene.
What is the SMILES notation for 3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene?
The canonical SMILES for 3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene is Clc1ccc2c(c1)sc1cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)ccc12.
What is the InChIKey of 3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene?
The InChIKey is ADKORBWBYPAWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19ClS/c32-22-15-17-26-25-16-14-21(18-29(25)33-30(26)19-22)31(20-8-2-1-3-9-20)27-12-6-4-10-23(27)24-11-5-7-13-28(24)31/h1-19H.
What are the key properties of 3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene?
3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene has a molecular weight of 459.01 g/mol, XLogP of 9.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-(9-phenylfluoren-9-yl)dibenzothiophene is sourced from PubChem (CID 177116952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).