4-(9-phenylfluoren-9-yl)benzenethiol

C25H18S — CID 58769505

IUPAC4-(9-phenylfluoren-9-yl)benzenethiol
SMILESSc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C25H18S/c26-20-16-14-19(15-17-20)25(18-8-2-1-3-9-18)23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-17,26H
InChIKeyHPOQHBBGEOMCHM-UHFFFAOYSA-N
MW350.49 g/mol
LogP6.34
Rot. Bonds2

About 4-(9-phenylfluoren-9-yl)benzenethiol

4-(9-phenylfluoren-9-yl)benzenethiol (PubChem CID 58769505) has the molecular formula C25H18S and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-(9-phenylfluoren-9-yl)benzenethiol.

Molecular Properties

Compound Name4-(9-phenylfluoren-9-yl)benzenethiol
PubChem CID58769505
Molecular FormulaC25H18S
Molecular Weight350.49 g/mol
Exact Mass350.11
IUPAC Name4-(9-phenylfluoren-9-yl)benzenethiol
SMILESSc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C25H18S/c26-20-16-14-19(15-17-20)25(18-8-2-1-3-9-18)23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-17,26H
InChIKeyHPOQHBBGEOMCHM-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
4-(9-phenylfluoren-9-yl)pyridine
CID 130393979
9-(4-ethylphenyl)-9-phenylfluorene
CID 149284542
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-ethenyl-9,9-diphenylfluorene
CID 144583514
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
9-(2-fluorophenyl)-9-phenylfluorene
CID 102442885

Frequently Asked Questions

What is the IUPAC name of 4-(9-phenylfluoren-9-yl)benzenethiol?
The IUPAC name of 4-(9-phenylfluoren-9-yl)benzenethiol (CID 58769505) is 4-(9-phenylfluoren-9-yl)benzenethiol.
What is the SMILES notation for 4-(9-phenylfluoren-9-yl)benzenethiol?
The canonical SMILES for 4-(9-phenylfluoren-9-yl)benzenethiol is Sc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-(9-phenylfluoren-9-yl)benzenethiol?
The InChIKey is HPOQHBBGEOMCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18S/c26-20-16-14-19(15-17-20)25(18-8-2-1-3-9-18)23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-17,26H.
What are the key properties of 4-(9-phenylfluoren-9-yl)benzenethiol?
4-(9-phenylfluoren-9-yl)benzenethiol has a molecular weight of 350.49 g/mol, XLogP of 6.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-phenylfluoren-9-yl)benzenethiol is sourced from PubChem (CID 58769505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).