4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline

C50H36Br2Cl2N4 — CID 158411353

IUPAC4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline
SMILESNc1ccc(C2(c3ccc(N)c(Br)c3)c3ccccc3-c3ccccc32)cc1Br.Nc1ccc(C2(c3ccc(N)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl
InChIInChI=1S/C25H18Br2N2.C25H18Cl2N2/c2*26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h2*1-14H,28-29H2
InChIKeyGZIVZEVNOWMMSH-UHFFFAOYSA-N
MW923.58 g/mol
LogP13.26
Rot. Bonds4

About 4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline

4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline (PubChem CID 158411353) has the molecular formula C50H36Br2Cl2N4 and a molecular weight of 923.58 g/mol. Its IUPAC name is 4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline.

Molecular Properties

Compound Name4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline
PubChem CID158411353
Molecular FormulaC50H36Br2Cl2N4
Molecular Weight923.58 g/mol
Exact Mass920.07
IUPAC Name4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline
SMILESNc1ccc(C2(c3ccc(N)c(Br)c3)c3ccccc3-c3ccccc32)cc1Br.Nc1ccc(C2(c3ccc(N)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl
InChIInChI=1S/C25H18Br2N2.C25H18Cl2N2/c2*26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h2*1-14H,28-29H2
InChIKeyGZIVZEVNOWMMSH-UHFFFAOYSA-N
XLogP13.26
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.58
LogP ≤ 513.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2-chloro-4-(9-chlorofluoren-9-yl)aniline
CID 23369098
4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline
CID 141181007
2-bromo-4-[9-(3-bromo-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 23496560
9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene
CID 176760002
4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline
CID 18790937
[2-amino-5-(9-phenylfluoren-9-yl)phenyl]methylideneazanium
CID 163765139
4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline
CID 171774476
2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
CID 118245876
9-(4-amino-3-methylphenyl)-9-(4-hydroxy-3-methylphenyl)fluoren-2-ol
CID 144931267
2-(9-anthracen-2-ylfluoren-9-yl)anthracene
CID 162705610
4'-bromo-2'-chloro-9,9'-spirobi[fluorene]
CID 155003673
1-[2-chloro-4-[9-[3-chloro-4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol
CID 68792294

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline?
The IUPAC name of 4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline (CID 158411353) is 4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline.
What is the SMILES notation for 4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline?
The canonical SMILES for 4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline is Nc1ccc(C2(c3ccc(N)c(Br)c3)c3ccccc3-c3ccccc32)cc1Br.Nc1ccc(C2(c3ccc(N)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl.
What is the InChIKey of 4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline?
The InChIKey is GZIVZEVNOWMMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Br2N2.C25H18Cl2N2/c2*26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h2*1-14H,28-29H2.
What are the key properties of 4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline?
4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline has a molecular weight of 923.58 g/mol, XLogP of 13.26, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-amino-3-bromophenyl)fluoren-9-yl]-2-bromoaniline;4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline is sourced from PubChem (CID 158411353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).