9,9-bis(4-methylsulfanylphenyl)fluorene

C27H22S2 — CID 59263565

IUPAC9,9-bis(4-methylsulfanylphenyl)fluorene
SMILESCSc1ccc(C2(c3ccc(SC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H22S2/c1-28-21-15-11-19(12-16-21)27(20-13-17-22(29-2)18-14-20)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-18H,1-2H3
InChIKeyJMSNNXJHFSVULM-UHFFFAOYSA-N
MW410.61 g/mol
LogP7.49
Rot. Bonds4

About 9,9-bis(4-methylsulfanylphenyl)fluorene

9,9-bis(4-methylsulfanylphenyl)fluorene (PubChem CID 59263565) has the molecular formula C27H22S2 and a molecular weight of 410.61 g/mol. Its IUPAC name is 9,9-bis(4-methylsulfanylphenyl)fluorene.

Molecular Properties

Compound Name9,9-bis(4-methylsulfanylphenyl)fluorene
PubChem CID59263565
Molecular FormulaC27H22S2
Molecular Weight410.61 g/mol
Exact Mass410.12
IUPAC Name9,9-bis(4-methylsulfanylphenyl)fluorene
SMILESCSc1ccc(C2(c3ccc(SC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H22S2/c1-28-21-15-11-19(12-16-21)27(20-13-17-22(29-2)18-14-20)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-18H,1-2H3
InChIKeyJMSNNXJHFSVULM-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.61
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-chloro-9-(4-methylsulfanylphenyl)fluorene
CID 71401009
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
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
4-(9-phenylfluoren-9-yl)benzenethiol
CID 58769505
9-(4-ethylphenyl)-9-phenylfluorene
CID 149284542
N-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline
CID 18790916

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-methylsulfanylphenyl)fluorene?
The IUPAC name of 9,9-bis(4-methylsulfanylphenyl)fluorene (CID 59263565) is 9,9-bis(4-methylsulfanylphenyl)fluorene.
What is the SMILES notation for 9,9-bis(4-methylsulfanylphenyl)fluorene?
The canonical SMILES for 9,9-bis(4-methylsulfanylphenyl)fluorene is CSc1ccc(C2(c3ccc(SC)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9,9-bis(4-methylsulfanylphenyl)fluorene?
The InChIKey is JMSNNXJHFSVULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22S2/c1-28-21-15-11-19(12-16-21)27(20-13-17-22(29-2)18-14-20)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-18H,1-2H3.
What are the key properties of 9,9-bis(4-methylsulfanylphenyl)fluorene?
9,9-bis(4-methylsulfanylphenyl)fluorene has a molecular weight of 410.61 g/mol, XLogP of 7.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-methylsulfanylphenyl)fluorene is sourced from PubChem (CID 59263565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).