8-chloro-1,3,9-trimethyl-9-phenylfluorene

C22H19Cl — CID 166464539

IUPAC8-chloro-1,3,9-trimethyl-9-phenylfluorene
SMILESCc1cc(C)c2c(c1)-c1cccc(Cl)c1C2(C)c1ccccc1
InChIInChI=1S/C22H19Cl/c1-14-12-15(2)20-18(13-14)17-10-7-11-19(23)21(17)22(20,3)16-8-5-4-6-9-16/h4-13H,1-3H3
InChIKeyJCRWGHRAWYWJSE-UHFFFAOYSA-N
MW318.85 g/mol
LogP6.29
Rot. Bonds1

About 8-chloro-1,3,9-trimethyl-9-phenylfluorene

8-chloro-1,3,9-trimethyl-9-phenylfluorene (PubChem CID 166464539) has the molecular formula C22H19Cl and a molecular weight of 318.85 g/mol. Its IUPAC name is 8-chloro-1,3,9-trimethyl-9-phenylfluorene.

Molecular Properties

Compound Name8-chloro-1,3,9-trimethyl-9-phenylfluorene
PubChem CID166464539
Molecular FormulaC22H19Cl
Molecular Weight318.85 g/mol
Exact Mass318.12
IUPAC Name8-chloro-1,3,9-trimethyl-9-phenylfluorene
SMILESCc1cc(C)c2c(c1)-c1cccc(Cl)c1C2(C)c1ccccc1
InChIInChI=1S/C22H19Cl/c1-14-12-15(2)20-18(13-14)17-10-7-11-19(23)21(17)22(20,3)16-8-5-4-6-9-16/h4-13H,1-3H3
InChIKeyJCRWGHRAWYWJSE-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.85
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,3,9-trimethyl-9-phenylfluorene?
The IUPAC name of 8-chloro-1,3,9-trimethyl-9-phenylfluorene (CID 166464539) is 8-chloro-1,3,9-trimethyl-9-phenylfluorene.
What is the SMILES notation for 8-chloro-1,3,9-trimethyl-9-phenylfluorene?
The canonical SMILES for 8-chloro-1,3,9-trimethyl-9-phenylfluorene is Cc1cc(C)c2c(c1)-c1cccc(Cl)c1C2(C)c1ccccc1.
What is the InChIKey of 8-chloro-1,3,9-trimethyl-9-phenylfluorene?
The InChIKey is JCRWGHRAWYWJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl/c1-14-12-15(2)20-18(13-14)17-10-7-11-19(23)21(17)22(20,3)16-8-5-4-6-9-16/h4-13H,1-3H3.
What are the key properties of 8-chloro-1,3,9-trimethyl-9-phenylfluorene?
8-chloro-1,3,9-trimethyl-9-phenylfluorene has a molecular weight of 318.85 g/mol, XLogP of 6.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1,3,9-trimethyl-9-phenylfluorene is sourced from PubChem (CID 166464539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).