2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol

C32H23Br2NO — CID 122388776

IUPAC2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol
SMILESCc1ccc(N(c2ccccc2)c2ccc(C3(O)c4cc(Br)ccc4-c4ccc(Br)cc43)cc2)cc1
InChIInChI=1S/C32H23Br2NO/c1-21-7-13-26(14-8-21)35(25-5-3-2-4-6-25)27-15-9-22(10-16-27)32(36)30-19-23(33)11-17-28(30)29-18-12-24(34)20-31(29)32/h2-20,36H,1H3
InChIKeyFJMCHZWHHOQMGS-UHFFFAOYSA-N
MW597.35 g/mol
LogP9.25
Rot. Bonds4

About 2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol

2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol (PubChem CID 122388776) has the molecular formula C32H23Br2NO and a molecular weight of 597.35 g/mol. Its IUPAC name is 2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol.

Molecular Properties

Compound Name2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol
PubChem CID122388776
Molecular FormulaC32H23Br2NO
Molecular Weight597.35 g/mol
Exact Mass595.01
IUPAC Name2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol
SMILESCc1ccc(N(c2ccccc2)c2ccc(C3(O)c4cc(Br)ccc4-c4ccc(Br)cc43)cc2)cc1
InChIInChI=1S/C32H23Br2NO/c1-21-7-13-26(14-8-21)35(25-5-3-2-4-6-25)27-15-9-22(10-16-27)32(36)30-19-23(33)11-17-28(30)29-18-12-24(34)20-31(29)32/h2-20,36H,1H3
InChIKeyFJMCHZWHHOQMGS-UHFFFAOYSA-N
XLogP9.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.35
LogP ≤ 59.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol 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

2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline
CID 158706072
N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59398831
2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol
CID 122205730
3-bromo-9,10-bis(4-methylphenyl)phenanthrene-9,10-diol
CID 142739230
7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
CID 118632342
7-bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 18694816
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol
CID 146504428
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
7-bromo-10,10-dimethyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,21-diol
CID 58175381
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol?
The IUPAC name of 2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol (CID 122388776) is 2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol.
What is the SMILES notation for 2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol?
The canonical SMILES for 2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol is Cc1ccc(N(c2ccccc2)c2ccc(C3(O)c4cc(Br)ccc4-c4ccc(Br)cc43)cc2)cc1.
What is the InChIKey of 2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol?
The InChIKey is FJMCHZWHHOQMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23Br2NO/c1-21-7-13-26(14-8-21)35(25-5-3-2-4-6-25)27-15-9-22(10-16-27)32(36)30-19-23(33)11-17-28(30)29-18-12-24(34)20-31(29)32/h2-20,36H,1H3.
What are the key properties of 2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol?
2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol has a molecular weight of 597.35 g/mol, XLogP of 9.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol is sourced from PubChem (CID 122388776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).