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

C31H19Cl — CID 130380122

IUPAC1'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
SMILESClc1cccc(-c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C31H19Cl/c32-21-10-7-9-20(19-21)22-14-8-15-26-25-13-3-6-18-29(25)31(30(22)26)27-16-4-1-11-23(27)24-12-2-5-17-28(24)31/h1-19H
InChIKeyQHKSHAYCAKEEJK-UHFFFAOYSA-N
MW426.95 g/mol
LogP8.35
Rot. Bonds1

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

1'-(3-chlorophenyl)-9,9'-spirobi[fluorene] (PubChem CID 130380122) has the molecular formula C31H19Cl and a molecular weight of 426.95 g/mol. Its IUPAC name is 1'-(3-chlorophenyl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
PubChem CID130380122
Molecular FormulaC31H19Cl
Molecular Weight426.95 g/mol
Exact Mass426.12
IUPAC Name1'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
SMILESClc1cccc(-c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C31H19Cl/c32-21-10-7-9-20(19-21)22-14-8-15-26-25-13-3-6-18-29(25)31(30(22)26)27-16-4-1-11-23(27)24-12-2-5-17-28(24)31/h1-19H
InChIKeyQHKSHAYCAKEEJK-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.95
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene]
CID 156896575
1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 156896822
4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 156524901
2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 137448777
2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
1-(2-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380139
2,4-bis(3-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 90059518
2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144854
9-[3-(3-chlorophenyl)phenyl]-9-naphthalen-2-ylfluorene
CID 169292933
2-chloro-1,3-bis(3-chlorophenyl)benzene
CID 54080795
2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline
CID 169293033

Frequently Asked Questions

What is the IUPAC name of 1'-(3-chlorophenyl)-9,9'-spirobi[fluorene]?
The IUPAC name of 1'-(3-chlorophenyl)-9,9'-spirobi[fluorene] (CID 130380122) is 1'-(3-chlorophenyl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 1'-(3-chlorophenyl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 1'-(3-chlorophenyl)-9,9'-spirobi[fluorene] is Clc1cccc(-c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1.
What is the InChIKey of 1'-(3-chlorophenyl)-9,9'-spirobi[fluorene]?
The InChIKey is QHKSHAYCAKEEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19Cl/c32-21-10-7-9-20(19-21)22-14-8-15-26-25-13-3-6-18-29(25)31(30(22)26)27-16-4-1-11-23(27)24-12-2-5-17-28(24)31/h1-19H.
What are the key properties of 1'-(3-chlorophenyl)-9,9'-spirobi[fluorene]?
1'-(3-chlorophenyl)-9,9'-spirobi[fluorene] has a molecular weight of 426.95 g/mol, XLogP of 8.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-chlorophenyl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 130380122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).