4-benzyl-1-(2-chloro-3-phenylsulfanylphenyl)-9H-fluorene

C32H23ClS — CID 150917961

IUPAC4-benzyl-1-(2-chloro-3-phenylsulfanylphenyl)-9H-fluorene
SMILESClc1c(Sc2ccccc2)cccc1-c1ccc(Cc2ccccc2)c2c1Cc1ccccc1-2
InChIInChI=1S/C32H23ClS/c33-32-28(16-9-17-30(32)34-25-13-5-2-6-14-25)27-19-18-24(20-22-10-3-1-4-11-22)31-26-15-8-7-12-23(26)21-29(27)31/h1-19H,20-21H2
InChIKeyLDKIVYCWAUVIQQ-UHFFFAOYSA-N
MW475.06 g/mol
LogP9.32
Rot. Bonds5

About 4-benzyl-1-(2-chloro-3-phenylsulfanylphenyl)-9H-fluorene

4-benzyl-1-(2-chloro-3-phenylsulfanylphenyl)-9H-fluorene (PubChem CID 150917961) has the molecular formula C32H23ClS and a molecular weight of 475.06 g/mol. Its IUPAC name is 4-benzyl-1-(2-chloro-3-phenylsulfanylphenyl)-9H-fluorene.

Molecular Properties

Compound Name4-benzyl-1-(2-chloro-3-phenylsulfanylphenyl)-9H-fluorene
PubChem CID150917961
Molecular FormulaC32H23ClS
Molecular Weight475.06 g/mol
Exact Mass474.12
IUPAC Name4-benzyl-1-(2-chloro-3-phenylsulfanylphenyl)-9H-fluorene
SMILESClc1c(Sc2ccccc2)cccc1-c1ccc(Cc2ccccc2)c2c1Cc1ccccc1-2
InChIInChI=1S/C32H23ClS/c33-32-28(16-9-17-30(32)34-25-13-5-2-6-14-25)27-19-18-24(20-22-10-3-1-4-11-22)31-26-15-8-7-12-23(26)21-29(27)31/h1-19H,20-21H2
InChIKeyLDKIVYCWAUVIQQ-UHFFFAOYSA-N
XLogP9.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.06
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-bis[2-[(4-tert-butylphenyl)methyl]-9H-fluoren-1-yl]benzene-1,3-diol
CID 151591558
4-[(2-benzyl-9H-fluoren-1-yl)methyl]phenol
CID 151052174
4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol
CID 150703659
4-ethyl-1-[2-(4-ethylphenyl)phenyl]-9H-fluorene
CID 150954424
1-benzyl-2-iodo-3-phenylsulfanylbenzene
CID 175054052
1-chloro-2-[2-(1-chloro-9H-fluoren-2-yl)ethyl]-9H-fluorene;titanium
CID 87867259
1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene
CID 22912623
2-benzyl-1-chloro-9H-xanthene
CID 175366576
2-butyl-1-phenyl-9H-fluorene
CID 154085968
1,4-dibenzylanthracene-9,10-dione;1,5-dibenzylanthracene-9,10-dione
CID 159427852
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2-chloro-3-phenylsulfanylphenyl)-9H-fluorene?
The IUPAC name of 4-benzyl-1-(2-chloro-3-phenylsulfanylphenyl)-9H-fluorene (CID 150917961) is 4-benzyl-1-(2-chloro-3-phenylsulfanylphenyl)-9H-fluorene.
What is the SMILES notation for 4-benzyl-1-(2-chloro-3-phenylsulfanylphenyl)-9H-fluorene?
The canonical SMILES for 4-benzyl-1-(2-chloro-3-phenylsulfanylphenyl)-9H-fluorene is Clc1c(Sc2ccccc2)cccc1-c1ccc(Cc2ccccc2)c2c1Cc1ccccc1-2.
What is the InChIKey of 4-benzyl-1-(2-chloro-3-phenylsulfanylphenyl)-9H-fluorene?
The InChIKey is LDKIVYCWAUVIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23ClS/c33-32-28(16-9-17-30(32)34-25-13-5-2-6-14-25)27-19-18-24(20-22-10-3-1-4-11-22)31-26-15-8-7-12-23(26)21-29(27)31/h1-19H,20-21H2.
What are the key properties of 4-benzyl-1-(2-chloro-3-phenylsulfanylphenyl)-9H-fluorene?
4-benzyl-1-(2-chloro-3-phenylsulfanylphenyl)-9H-fluorene has a molecular weight of 475.06 g/mol, XLogP of 9.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2-chloro-3-phenylsulfanylphenyl)-9H-fluorene is sourced from PubChem (CID 150917961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).