N-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline

C49H34BrN — CID 118193744

IUPACN-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESBrc1cccc2c1-c1ccccc1C2(c1ccccc1)c1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C49H34BrN/c50-46-28-15-27-45-48(46)43-25-10-12-26-44(43)49(45,38-20-8-3-9-21-38)39-22-14-23-41(34-39)51(40-32-30-36(31-33-40)35-16-4-1-5-17-35)47-29-13-11-24-42(47)37-18-6-2-7-19-37/h1-34H
InChIKeyHGCZWALAXJSJSP-UHFFFAOYSA-N
MW716.72 g/mol
LogP13.62
Rot. Bonds7

About N-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline

N-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 118193744) has the molecular formula C49H34BrN and a molecular weight of 716.72 g/mol. Its IUPAC name is N-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
PubChem CID118193744
Molecular FormulaC49H34BrN
Molecular Weight716.72 g/mol
Exact Mass715.19
IUPAC NameN-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESBrc1cccc2c1-c1ccccc1C2(c1ccccc1)c1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C49H34BrN/c50-46-28-15-27-45-48(46)43-25-10-12-26-44(43)49(45,38-20-8-3-9-21-38)39-22-14-23-41(34-39)51(40-32-30-36(31-33-40)35-16-4-1-5-17-35)47-29-13-11-24-42(47)37-18-6-2-7-19-37/h1-34H
InChIKeyHGCZWALAXJSJSP-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.72
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline 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

4-N-(9,9-diphenylfluoren-3-yl)-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-4-N-[2-(4-phenylphenyl)phenyl]benzene-1,4-diamine
CID 155096728
1-N-(9,9-diphenylfluoren-3-yl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096776
2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 90153719
N-[4-(9-phenylfluoren-9-yl)phenyl]-N,3-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 158825710
9,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 121464349
N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline
CID 162510727
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 169019991
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 169020349
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 118146121
9,9-diphenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 140919853
4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667094

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline (CID 118193744) is N-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline is Brc1cccc2c1-c1ccccc1C2(c1ccccc1)c1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)c1.
What is the InChIKey of N-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is HGCZWALAXJSJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34BrN/c50-46-28-15-27-45-48(46)43-25-10-12-26-44(43)49(45,38-20-8-3-9-21-38)39-22-14-23-41(34-39)51(40-32-30-36(31-33-40)35-16-4-1-5-17-35)47-29-13-11-24-42(47)37-18-6-2-7-19-37/h1-34H.
What are the key properties of N-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
N-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 716.72 g/mol, XLogP of 13.62, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-9-phenylfluoren-9-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118193744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).