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

C31H18BrCl — CID 165158290

IUPAC3-(3-bromo-5-chlorophenyl)-9,9'-spirobi[fluorene]
SMILESClc1cc(Br)cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C31H18BrCl/c32-21-15-20(16-22(33)18-21)19-13-14-30-26(17-19)25-9-3-6-12-29(25)31(30)27-10-4-1-7-23(27)24-8-2-5-11-28(24)31/h1-18H
InChIKeyGKEYAFYXKYQQPR-UHFFFAOYSA-N
MW505.84 g/mol
LogP9.11
Rot. Bonds1

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

3-(3-bromo-5-chlorophenyl)-9,9'-spirobi[fluorene] (PubChem CID 165158290) has the molecular formula C31H18BrCl and a molecular weight of 505.84 g/mol. Its IUPAC name is 3-(3-bromo-5-chlorophenyl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name3-(3-bromo-5-chlorophenyl)-9,9'-spirobi[fluorene]
PubChem CID165158290
Molecular FormulaC31H18BrCl
Molecular Weight505.84 g/mol
Exact Mass504.03
IUPAC Name3-(3-bromo-5-chlorophenyl)-9,9'-spirobi[fluorene]
SMILESClc1cc(Br)cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C31H18BrCl/c32-21-15-20(16-22(33)18-21)19-13-14-30-26(17-19)25-9-3-6-12-29(25)31(30)27-10-4-1-7-23(27)24-8-2-5-11-28(24)31/h1-18H
InChIKeyGKEYAFYXKYQQPR-UHFFFAOYSA-N
XLogP9.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.84
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-(3-bromo-5-chlorophenyl)-9,9'-spirobi[fluorene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340
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
2-(3-bromo-5-chlorophenyl)naphthalene
CID 141471222
4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 165158281
2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 164783629
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
4'-bromo-2'-chloro-9,9'-spirobi[fluorene]
CID 155003673
1-bromo-3-(4-bromophenyl)-5-chlorobenzene
CID 134275306
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260790
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]
CID 164755510

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-chlorophenyl)-9,9'-spirobi[fluorene]?
The IUPAC name of 3-(3-bromo-5-chlorophenyl)-9,9'-spirobi[fluorene] (CID 165158290) is 3-(3-bromo-5-chlorophenyl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 3-(3-bromo-5-chlorophenyl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 3-(3-bromo-5-chlorophenyl)-9,9'-spirobi[fluorene] is Clc1cc(Br)cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 3-(3-bromo-5-chlorophenyl)-9,9'-spirobi[fluorene]?
The InChIKey is GKEYAFYXKYQQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18BrCl/c32-21-15-20(16-22(33)18-21)19-13-14-30-26(17-19)25-9-3-6-12-29(25)31(30)27-10-4-1-7-23(27)24-8-2-5-11-28(24)31/h1-18H.
What are the key properties of 3-(3-bromo-5-chlorophenyl)-9,9'-spirobi[fluorene]?
3-(3-bromo-5-chlorophenyl)-9,9'-spirobi[fluorene] has a molecular weight of 505.84 g/mol, XLogP of 9.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-chlorophenyl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 165158290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).