9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol

C43H30BrNO — CID 118049359

IUPAC9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol
SMILESOC1(c2ccccc2Br)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C43H30BrNO/c44-40-20-10-9-18-38(40)43(46)37-17-8-7-16-36(37)42-39(43)19-11-21-41(42)45(34-26-22-32(23-27-34)30-12-3-1-4-13-30)35-28-24-33(25-29-35)31-14-5-2-6-15-31/h1-29,46H
InChIKeyPKHYVFBYYYGJBZ-UHFFFAOYSA-N
MW656.62 g/mol
LogP11.52
Rot. Bonds6

About 9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol

9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol (PubChem CID 118049359) has the molecular formula C43H30BrNO and a molecular weight of 656.62 g/mol. Its IUPAC name is 9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol.

Molecular Properties

Compound Name9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol
PubChem CID118049359
Molecular FormulaC43H30BrNO
Molecular Weight656.62 g/mol
Exact Mass655.15
IUPAC Name9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol
SMILESOC1(c2ccccc2Br)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C43H30BrNO/c44-40-20-10-9-18-38(40)43(46)37-17-8-7-16-36(37)42-39(43)19-11-21-41(42)45(34-26-22-32(23-27-34)30-12-3-1-4-13-30)35-28-24-33(25-29-35)31-14-5-2-6-15-31/h1-29,46H
InChIKeyPKHYVFBYYYGJBZ-UHFFFAOYSA-N
XLogP11.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.62
LogP ≤ 511.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)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

9-(2-bromophenyl)-4-phenylfluoren-9-ol
CID 118049400
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
CID 118153763
CID 118153763
4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159762186
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 121464380
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 171799079
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
N-(3,4-dimethylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 142515720

Frequently Asked Questions

What is the IUPAC name of 9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol?
The IUPAC name of 9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol (CID 118049359) is 9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol.
What is the SMILES notation for 9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol?
The canonical SMILES for 9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol is OC1(c2ccccc2Br)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cccc21.
What is the InChIKey of 9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol?
The InChIKey is PKHYVFBYYYGJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30BrNO/c44-40-20-10-9-18-38(40)43(46)37-17-8-7-16-36(37)42-39(43)19-11-21-41(42)45(34-26-22-32(23-27-34)30-12-3-1-4-13-30)35-28-24-33(25-29-35)31-14-5-2-6-15-31/h1-29,46H.
What are the key properties of 9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol?
9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol has a molecular weight of 656.62 g/mol, XLogP of 11.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol is sourced from PubChem (CID 118049359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).