4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]

C37H23Cl — CID 156524901

IUPAC4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
SMILESClc1cccc(-c2ccccc2-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C37H23Cl/c38-25-12-9-11-24(23-25)26-13-1-2-14-27(26)30-18-10-22-35-36(30)31-17-5-8-21-34(31)37(35)32-19-6-3-15-28(32)29-16-4-7-20-33(29)37/h1-23H
InChIKeyBDOFNFMJYQJCTO-UHFFFAOYSA-N
MW503.04 g/mol
LogP10.02
Rot. Bonds2

About 4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]

4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene] (PubChem CID 156524901) has the molecular formula C37H23Cl and a molecular weight of 503.04 g/mol. Its IUPAC name is 4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
PubChem CID156524901
Molecular FormulaC37H23Cl
Molecular Weight503.04 g/mol
Exact Mass502.15
IUPAC Name4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
SMILESClc1cccc(-c2ccccc2-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C37H23Cl/c38-25-12-9-11-24(23-25)26-13-1-2-14-27(26)30-18-10-22-35-36(30)31-17-5-8-21-34(31)37(35)32-19-6-3-15-28(32)29-16-4-7-20-33(29)37/h1-23H
InChIKeyBDOFNFMJYQJCTO-UHFFFAOYSA-N
XLogP10.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.04
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 137448777
1'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380122
9-(3-chlorophenyl)-4,9-diphenylfluorene
CID 176760005
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
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene]
CID 156896575
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 139521250
4-phenyl-2-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine
CID 153287780

Frequently Asked Questions

What is the IUPAC name of 4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene] (CID 156524901) is 4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene] is Clc1cccc(-c2ccccc2-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]?
The InChIKey is BDOFNFMJYQJCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23Cl/c38-25-12-9-11-24(23-25)26-13-1-2-14-27(26)30-18-10-22-35-36(30)31-17-5-8-21-34(31)37(35)32-19-6-3-15-28(32)29-16-4-7-20-33(29)37/h1-23H.
What are the key properties of 4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]?
4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 503.04 g/mol, XLogP of 10.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 156524901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).