4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline

C25H16Br4N2 — CID 141181007

IUPAC4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline
SMILESNc1c(Br)cc(C2(c3cc(Br)c(N)c(Br)c3)c3ccccc3-c3ccccc32)cc1Br
InChIInChI=1S/C25H16Br4N2/c26-19-9-13(10-20(27)23(19)30)25(14-11-21(28)24(31)22(29)12-14)17-7-3-1-5-15(17)16-6-2-4-8-18(16)25/h1-12H,30-31H2
InChIKeyFOCQMWRJQICTBR-UHFFFAOYSA-N
MW664.03 g/mol
LogP8.26
Rot. Bonds2

About 4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline

4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline (PubChem CID 141181007) has the molecular formula C25H16Br4N2 and a molecular weight of 664.03 g/mol. Its IUPAC name is 4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline.

Molecular Properties

Compound Name4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline
PubChem CID141181007
Molecular FormulaC25H16Br4N2
Molecular Weight664.03 g/mol
Exact Mass659.80
IUPAC Name4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline
SMILESNc1c(Br)cc(C2(c3cc(Br)c(N)c(Br)c3)c3ccccc3-c3ccccc32)cc1Br
InChIInChI=1S/C25H16Br4N2/c26-19-9-13(10-20(27)23(19)30)25(14-11-21(28)24(31)22(29)12-14)17-7-3-1-5-15(17)16-6-2-4-8-18(16)25/h1-12H,30-31H2
InChIKeyFOCQMWRJQICTBR-UHFFFAOYSA-N
XLogP8.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.03
LogP ≤ 58.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline
CID 18790937
2-bromo-4-[9-(3-bromo-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 23496560
4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline
CID 158411353
[2,6-dibromo-4-[9-(3,5-dibromo-4-propanoyloxyphenyl)fluoren-9-yl]phenyl] propanoate
CID 141256278
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;methane
CID 145331804
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718
10',11',17'-tribromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 130268416
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]
CID 11799121
9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene
CID 170621532
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline?
The IUPAC name of 4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline (CID 141181007) is 4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline.
What is the SMILES notation for 4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline?
The canonical SMILES for 4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline is Nc1c(Br)cc(C2(c3cc(Br)c(N)c(Br)c3)c3ccccc3-c3ccccc32)cc1Br.
What is the InChIKey of 4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline?
The InChIKey is FOCQMWRJQICTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Br4N2/c26-19-9-13(10-20(27)23(19)30)25(14-11-21(28)24(31)22(29)12-14)17-7-3-1-5-15(17)16-6-2-4-8-18(16)25/h1-12H,30-31H2.
What are the key properties of 4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline?
4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline has a molecular weight of 664.03 g/mol, XLogP of 8.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline is sourced from PubChem (CID 141181007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).