9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene

C31H21Cl — CID 176759908

IUPAC9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(C3(c4cccc(Cl)c4)c4ccccc4-c4ccccc43)cc2)c([2H])c1[2H]
InChIInChI=1S/C31H21Cl/c32-26-12-8-11-25(21-26)31(24-19-17-23(18-20-24)22-9-2-1-3-10-22)29-15-6-4-13-27(29)28-14-5-7-16-30(28)31/h1-21H/i1D,2D,3D,9D,10D
InChIKeyMOKCHGYQUCIYFE-MYWHSQMISA-N
MW433.99 g/mol
LogP8.37
Rot. Bonds3

About 9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene

9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene (PubChem CID 176759908) has the molecular formula C31H21Cl and a molecular weight of 433.99 g/mol. Its IUPAC name is 9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene.

Molecular Properties

Compound Name9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene
PubChem CID176759908
Molecular FormulaC31H21Cl
Molecular Weight433.99 g/mol
Exact Mass433.16
IUPAC Name9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(C3(c4cccc(Cl)c4)c4ccccc4-c4ccccc43)cc2)c([2H])c1[2H]
InChIInChI=1S/C31H21Cl/c32-26-12-8-11-25(21-26)31(24-19-17-23(18-20-24)22-9-2-1-3-10-22)29-15-6-4-13-27(29)28-14-5-7-16-30(28)31/h1-21H/i1D,2D,3D,9D,10D
InChIKeyMOKCHGYQUCIYFE-MYWHSQMISA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.99
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene
CID 164783545
9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene
CID 176760002
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 164737881
9-(3-chlorophenyl)-4,9-diphenylfluorene
CID 176760005
1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene
CID 164737911
N-(3-chlorophenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90154262
9-[3-(3-chlorophenyl)phenyl]-9-naphthalen-2-ylfluorene
CID 169292933
2-[3-[9-(3-chlorophenyl)fluoren-9-yl]phenyl]pyridine
CID 137452024
2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791267
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
CID 171451967
2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene
CID 177098953
9-[4-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]phenyl]-1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracene
CID 164737933

Frequently Asked Questions

What is the IUPAC name of 9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene?
The IUPAC name of 9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene (CID 176759908) is 9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene.
What is the SMILES notation for 9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene?
The canonical SMILES for 9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene is [2H]c1c([2H])c([2H])c(-c2ccc(C3(c4cccc(Cl)c4)c4ccccc4-c4ccccc43)cc2)c([2H])c1[2H].
What is the InChIKey of 9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene?
The InChIKey is MOKCHGYQUCIYFE-MYWHSQMISA-N. The full InChI is InChI=1S/C31H21Cl/c32-26-12-8-11-25(21-26)31(24-19-17-23(18-20-24)22-9-2-1-3-10-22)29-15-6-4-13-27(29)28-14-5-7-16-30(28)31/h1-21H/i1D,2D,3D,9D,10D.
What are the key properties of 9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene?
9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene has a molecular weight of 433.99 g/mol, XLogP of 8.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene is sourced from PubChem (CID 176759908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).