N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline

C57H41NO — CID 140919467

IUPACN-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc4c3oc3ccccc34)cc21
InChIInChI=1S/C57H41NO/c1-57(2)53-19-11-9-17-48(53)49-34-29-43(37-54(49)57)51-35-44(36-52-50-18-10-12-20-55(50)59-56(51)52)42-27-32-47(33-28-42)58(45-15-7-4-8-16-45)46-30-25-41(26-31-46)40-23-21-39(22-24-40)38-13-5-3-6-14-38/h3-37H,1-2H3
InChIKeyVJDLCRAPZQAGGC-UHFFFAOYSA-N
MW755.96 g/mol
LogP16.03
Rot. Bonds7

About N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline

N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline (PubChem CID 140919467) has the molecular formula C57H41NO and a molecular weight of 755.96 g/mol. Its IUPAC name is N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
PubChem CID140919467
Molecular FormulaC57H41NO
Molecular Weight755.96 g/mol
Exact Mass755.32
IUPAC NameN-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc4c3oc3ccccc34)cc21
InChIInChI=1S/C57H41NO/c1-57(2)53-19-11-9-17-48(53)49-34-29-43(37-54(49)57)51-35-44(36-52-50-18-10-12-20-55(50)59-56(51)52)42-27-32-47(33-28-42)58(45-15-7-4-8-16-45)46-30-25-41(26-31-46)40-23-21-39(22-24-40)38-13-5-3-6-14-38/h3-37H,1-2H3
InChIKeyVJDLCRAPZQAGGC-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.96
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(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-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-N,4-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 162204343
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline
CID 140919277
9,9-dimethyl-N,7-diphenyl-N-[4-[4-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]fluoren-2-amine
CID 67964222
N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 140919105
9,9-dimethyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 140919240
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393
4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 140919522
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839606
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-dibenzofuran-4-yl-N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159734238

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline (CID 140919467) is N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc4c3oc3ccccc34)cc21.
What is the InChIKey of N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline?
The InChIKey is VJDLCRAPZQAGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO/c1-57(2)53-19-11-9-17-48(53)49-34-29-43(37-54(49)57)51-35-44(36-52-50-18-10-12-20-55(50)59-56(51)52)42-27-32-47(33-28-42)58(45-15-7-4-8-16-45)46-30-25-41(26-31-46)40-23-21-39(22-24-40)38-13-5-3-6-14-38/h3-37H,1-2H3.
What are the key properties of N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline?
N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline has a molecular weight of 755.96 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 140919467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).