4'-bromo-4-chloro-9,9'-spirobi[fluorene]

C25H14BrCl — CID 139434314

IUPAC4'-bromo-4-chloro-9,9'-spirobi[fluorene]
SMILESClc1cccc2c1-c1ccccc1C21c2ccccc2-c2c(Br)cccc21
InChIInChI=1S/C25H14BrCl/c26-21-13-5-11-19-23(21)15-7-1-3-9-17(15)25(19)18-10-4-2-8-16(18)24-20(25)12-6-14-22(24)27/h1-14H
InChIKeySGQNEMOXEPXGCI-UHFFFAOYSA-N
MW429.74 g/mol
LogP7.45
Rot. Bonds

About 4'-bromo-4-chloro-9,9'-spirobi[fluorene]

4'-bromo-4-chloro-9,9'-spirobi[fluorene] (PubChem CID 139434314) has the molecular formula C25H14BrCl and a molecular weight of 429.74 g/mol. Its IUPAC name is 4'-bromo-4-chloro-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4'-bromo-4-chloro-9,9'-spirobi[fluorene]
PubChem CID139434314
Molecular FormulaC25H14BrCl
Molecular Weight429.74 g/mol
Exact Mass428.00
IUPAC Name4'-bromo-4-chloro-9,9'-spirobi[fluorene]
SMILESClc1cccc2c1-c1ccccc1C21c2ccccc2-c2c(Br)cccc21
InChIInChI=1S/C25H14BrCl/c26-21-13-5-11-19-23(21)15-7-1-3-9-17(15)25(19)18-10-4-2-8-16(18)24-20(25)12-6-14-22(24)27/h1-14H
InChIKeySGQNEMOXEPXGCI-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.74
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
4-bromo-4'-methyl-9,9'-spirobi[fluorene]
CID 123165749
1-bromo-2-(2-bromophenyl)-3-chlorobenzene
CID 67154117
4-bromospiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 134528270
4'-bromo-2'-chloro-9,9'-spirobi[fluorene]
CID 155003673
5-bromo-2-ethyl-9,9'-spirobi[fluorene]
CID 142521287
4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran
CID 142453719
4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 141481966
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 153288141
7-bromospiro[benzo[a]fluorene-11,9'-fluorene]
CID 134194078
1,2,3,4,5,6-hexabromo-9,9'-spirobi[fluorene]
CID 22016044
4-bromo-3-iodo-9,9'-spirobi[fluorene]
CID 156756658

Frequently Asked Questions

What is the IUPAC name of 4'-bromo-4-chloro-9,9'-spirobi[fluorene]?
The IUPAC name of 4'-bromo-4-chloro-9,9'-spirobi[fluorene] (CID 139434314) is 4'-bromo-4-chloro-9,9'-spirobi[fluorene].
What is the SMILES notation for 4'-bromo-4-chloro-9,9'-spirobi[fluorene]?
The canonical SMILES for 4'-bromo-4-chloro-9,9'-spirobi[fluorene] is Clc1cccc2c1-c1ccccc1C21c2ccccc2-c2c(Br)cccc21.
What is the InChIKey of 4'-bromo-4-chloro-9,9'-spirobi[fluorene]?
The InChIKey is SGQNEMOXEPXGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14BrCl/c26-21-13-5-11-19-23(21)15-7-1-3-9-17(15)25(19)18-10-4-2-8-16(18)24-20(25)12-6-14-22(24)27/h1-14H.
What are the key properties of 4'-bromo-4-chloro-9,9'-spirobi[fluorene]?
4'-bromo-4-chloro-9,9'-spirobi[fluorene] has a molecular weight of 429.74 g/mol, XLogP of 7.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-bromo-4-chloro-9,9'-spirobi[fluorene] is sourced from PubChem (CID 139434314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).