N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline

C64H47N — CID 146576437

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c4ccccc4-c4ccccc4)cc3)cc21
InChIInChI=1S/C64H47N/c1-63(2)58-27-15-12-25-54(58)56-40-34-47(42-60(56)63)44-30-36-51(37-31-44)65(62-29-17-14-24-53(62)46-18-6-3-7-19-46)52-38-32-45(33-39-52)48-35-41-57-55-26-13-16-28-59(55)64(61(57)43-48,49-20-8-4-9-21-49)50-22-10-5-11-23-50/h3-43H,1-2H3
InChIKeyHEZSTDDDRJTVCB-UHFFFAOYSA-N
MW830.09 g/mol
LogP16.83
Rot. Bonds8

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline (PubChem CID 146576437) has the molecular formula C64H47N and a molecular weight of 830.09 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline
PubChem CID146576437
Molecular FormulaC64H47N
Molecular Weight830.09 g/mol
Exact Mass829.37
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c4ccccc4-c4ccccc4)cc3)cc21
InChIInChI=1S/C64H47N/c1-63(2)58-27-15-12-25-54(58)56-40-34-47(42-60(56)63)44-30-36-51(37-31-44)65(62-29-17-14-24-53(62)46-18-6-3-7-19-46)52-38-32-45(33-39-52)48-35-41-57-55-26-13-16-28-59(55)64(61(57)43-48,49-20-8-4-9-21-49)50-22-10-5-11-23-50/h3-43H,1-2H3
InChIKeyHEZSTDDDRJTVCB-UHFFFAOYSA-N
XLogP16.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.09
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline 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

N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321503
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121422575
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 142481346
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 135193258
N-[7-[3-[3-[2-(N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-2-phenylanilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 139469384
N-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-7-methyl-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-7-methyl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-7,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 162054053
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158470030
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 134487972
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-7-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylfluoren-2-amine
CID 121391735
4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 121361277
N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155153846

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline (CID 146576437) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c4ccccc4-c4ccccc4)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline?
The InChIKey is HEZSTDDDRJTVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N/c1-63(2)58-27-15-12-25-54(58)56-40-34-47(42-60(56)63)44-30-36-51(37-31-44)65(62-29-17-14-24-53(62)46-18-6-3-7-19-46)52-38-32-45(33-39-52)48-35-41-57-55-26-13-16-28-59(55)64(61(57)43-48,49-20-8-4-9-21-49)50-22-10-5-11-23-50/h3-43H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline has a molecular weight of 830.09 g/mol, XLogP of 16.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline is sourced from PubChem (CID 146576437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).