4-[3-(3-bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine

C36H22BrF2N — CID 165158355

IUPAC4-[3-(3-bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine
SMILESFc1ccc(C2(c3ccc(F)cc3)c3ccccc3-c3cncc(-c4cccc(-c5cccc(Br)c5)c4)c32)cc1
InChIInChI=1S/C36H22BrF2N/c37-28-8-4-6-24(20-28)23-5-3-7-25(19-23)32-21-40-22-33-31-9-1-2-10-34(31)36(35(32)33,26-11-15-29(38)16-12-26)27-13-17-30(39)18-14-27/h1-22H
InChIKeyLBTKKMWTUPPWQT-UHFFFAOYSA-N
MW586.48 g/mol
LogP9.82
Rot. Bonds4

About 4-[3-(3-bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine

4-[3-(3-bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine (PubChem CID 165158355) has the molecular formula C36H22BrF2N and a molecular weight of 586.48 g/mol. Its IUPAC name is 4-[3-(3-bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine.

Molecular Properties

Compound Name4-[3-(3-bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine
PubChem CID165158355
Molecular FormulaC36H22BrF2N
Molecular Weight586.48 g/mol
Exact Mass585.09
IUPAC Name4-[3-(3-bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine
SMILESFc1ccc(C2(c3ccc(F)cc3)c3ccccc3-c3cncc(-c4cccc(-c5cccc(Br)c5)c4)c32)cc1
InChIInChI=1S/C36H22BrF2N/c37-28-8-4-6-24(20-28)23-5-3-7-25(19-23)32-21-40-22-33-31-9-1-2-10-34(31)36(35(32)33,26-11-15-29(38)16-12-26)27-13-17-30(39)18-14-27/h1-22H
InChIKeyLBTKKMWTUPPWQT-UHFFFAOYSA-N
XLogP9.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.48
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[2,7-Dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine
CID 90930230
5-[[2,3-Bis(2-fluorophenyl)phenyl]methyl]-2-bromopyridine
CID 21333347
5-[[2,3-Bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine
CID 21333352
5-[[2,3-Bis(4-fluorophenyl)phenyl]methyl]-2-bromopyridine
CID 21333402
3-[3-[3-(3-Bromophenyl)-5-[3-[5-(trifluoromethyl)pyridin-3-yl]phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine
CID 89986864
5-Bromo-3-fluoro-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
CID 118857437
3-[10-(9H-fluoren-9-yl)anthracen-9-yl]-5-fluoropyridine
CID 141380164
5-(9,9-Diphenylfluoren-4-yl)-2-methyl-3-(trifluoromethyl)pyridine
CID 156260718
3-(7-Fluoro-9,9-dimethyl-2-methylbromanuidylfluoren-4-yl)pyridine
CID 164047200
Tris(4-fluorophenyl)-(4-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-7'-ylphenyl)silane
CID 172196688
Tris(4-fluorophenyl)-(3-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-7'-ylphenyl)silane
CID 172196699
Tris(3,5-difluorophenyl)-(3-spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-7'-ylphenyl)silane
CID 172196717

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine?
The IUPAC name of 4-[3-(3-bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine (CID 165158355) is 4-[3-(3-bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine.
What is the SMILES notation for 4-[3-(3-bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine?
The canonical SMILES for 4-[3-(3-bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine is Fc1ccc(C2(c3ccc(F)cc3)c3ccccc3-c3cncc(-c4cccc(-c5cccc(Br)c5)c4)c32)cc1.
What is the InChIKey of 4-[3-(3-bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine?
The InChIKey is LBTKKMWTUPPWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22BrF2N/c37-28-8-4-6-24(20-28)23-5-3-7-25(19-23)32-21-40-22-33-31-9-1-2-10-34(31)36(35(32)33,26-11-15-29(38)16-12-26)27-13-17-30(39)18-14-27/h1-22H.
What are the key properties of 4-[3-(3-bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine?
4-[3-(3-bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine has a molecular weight of 586.48 g/mol, XLogP of 9.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine is sourced from PubChem (CID 165158355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).