2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]

C31H18Cl2 — CID 137448777

IUPAC2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
SMILESClc1cccc(-c2cccc3c2-c2ccc(Cl)cc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C31H18Cl2/c32-20-8-5-7-19(17-20)22-11-6-14-28-30(22)25-16-15-21(33)18-29(25)31(28)26-12-3-1-9-23(26)24-10-2-4-13-27(24)31/h1-18H
InChIKeyGYXXXWSIJAPLOW-UHFFFAOYSA-N
MW461.39 g/mol
LogP9.00
Rot. Bonds1

About 2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]

2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene] (PubChem CID 137448777) has the molecular formula C31H18Cl2 and a molecular weight of 461.39 g/mol. Its IUPAC name is 2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
PubChem CID137448777
Molecular FormulaC31H18Cl2
Molecular Weight461.39 g/mol
Exact Mass460.08
IUPAC Name2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
SMILESClc1cccc(-c2cccc3c2-c2ccc(Cl)cc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C31H18Cl2/c32-20-8-5-7-19(17-20)22-11-6-14-28-30(22)25-16-15-21(33)18-29(25)31(28)26-12-3-1-9-23(26)24-10-2-4-13-27(24)31/h1-18H
InChIKeyGYXXXWSIJAPLOW-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

4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 156524901
CID 102192841
CID 102192841
1'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380122
2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene]
CID 137448750
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
9-(3-chlorophenyl)-4,9-diphenylfluorene
CID 176760005
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
2-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260395
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 165158281
2-(4-chlorophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130264027
7-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 154588610

Frequently Asked Questions

What is the IUPAC name of 2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]?
The IUPAC name of 2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene] (CID 137448777) is 2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene] is Clc1cccc(-c2cccc3c2-c2ccc(Cl)cc2C32c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]?
The InChIKey is GYXXXWSIJAPLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18Cl2/c32-20-8-5-7-19(17-20)22-11-6-14-28-30(22)25-16-15-21(33)18-29(25)31(28)26-12-3-1-9-23(26)24-10-2-4-13-27(24)31/h1-18H.
What are the key properties of 2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]?
2'-chloro-5'-(3-chlorophenyl)-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 2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 137448777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).