1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene]

C31H18Cl2 — CID 156896575

IUPAC1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene]
SMILESClc1cc(Cl)cc(-c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C31H18Cl2/c32-20-16-19(17-21(33)18-20)22-11-7-12-26-25-10-3-6-15-29(25)31(30(22)26)27-13-4-1-8-23(27)24-9-2-5-14-28(24)31/h1-18H
InChIKeyCRHQGALFHQDSKH-UHFFFAOYSA-N
MW461.39 g/mol
LogP9.00
Rot. Bonds1

About 1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene]

1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene] (PubChem CID 156896575) has the molecular formula C31H18Cl2 and a molecular weight of 461.39 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene]
PubChem CID156896575
Molecular FormulaC31H18Cl2
Molecular Weight461.39 g/mol
Exact Mass460.08
IUPAC Name1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene]
SMILESClc1cc(Cl)cc(-c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C31H18Cl2/c32-20-16-19(17-21(33)18-20)22-11-7-12-26-25-10-3-6-15-29(25)31(30(22)26)27-13-4-1-8-23(27)24-9-2-5-14-28(24)31/h1-18H
InChIKeyCRHQGALFHQDSKH-UHFFFAOYSA-N
XLogP9.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.39
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380122
1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 156896822
1-(2-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380139
2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906
8-(3,5-dichlorophenyl)-4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]
CID 156896781
4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 156524901
2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 137448777
4-[9-(2,3,4-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)fluoren-9-yl]benzene-1,2,3-triol
CID 172681217
2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144854
1-(3,5-dimethylphenyl)-9,9-diphenylfluorene
CID 159307684
2,4-bis(3-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 90059518
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene]?
The IUPAC name of 1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene] (CID 156896575) is 1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene] is Clc1cc(Cl)cc(-c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene]?
The InChIKey is CRHQGALFHQDSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18Cl2/c32-20-16-19(17-21(33)18-20)22-11-7-12-26-25-10-3-6-15-29(25)31(30(22)26)27-13-4-1-8-23(27)24-9-2-5-14-28(24)31/h1-18H.
What are the key properties of 1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene]?
1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene] has a molecular weight of 461.39 g/mol, XLogP of 9.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 156896575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).