N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine

C57H49N — CID 170216343

IUPACN-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
SMILESCC(C)(C)c1ccc(-c2ccccc2N(c2cccc(-c3cccc4c3C(C)(C)c3ccccc3-4)c2)c2ccc3c(c2)C(C)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C57H49N/c1-55(2,3)40-32-30-38(31-33-40)44-22-12-15-29-53(44)58(43-34-35-48-46-23-11-14-28-51(46)57(6,52(48)37-43)41-19-8-7-9-20-41)42-21-16-18-39(36-42)45-25-17-26-49-47-24-10-13-27-50(47)56(4,5)54(45)49/h7-37H,1-6H3
InChIKeyVRXGZBXVSQLXBW-UHFFFAOYSA-N
MW748.03 g/mol
LogP15.43
Rot. Bonds6

About N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine

N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine (PubChem CID 170216343) has the molecular formula C57H49N and a molecular weight of 748.03 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
PubChem CID170216343
Molecular FormulaC57H49N
Molecular Weight748.03 g/mol
Exact Mass747.39
IUPAC NameN-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
SMILESCC(C)(C)c1ccc(-c2ccccc2N(c2cccc(-c3cccc4c3C(C)(C)c3ccccc3-4)c2)c2ccc3c(c2)C(C)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C57H49N/c1-55(2,3)40-32-30-38(31-33-40)44-22-12-15-29-53(44)58(43-34-35-48-46-23-11-14-28-51(46)57(6,52(48)37-43)41-19-8-7-9-20-41)42-21-16-18-39(36-42)45-25-17-26-49-47-24-10-13-27-50(47)56(4,5)54(45)49/h7-37H,1-6H3
InChIKeyVRXGZBXVSQLXBW-UHFFFAOYSA-N
XLogP15.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.03
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine 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-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 170215498
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170215500
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-2-yl)fluoren-1-amine
CID 170216276
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170216915
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218403
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218423
N-[2-(4-tert-butylphenyl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 170217441
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170217614
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170217472
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-9-phenyl-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218419
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170217449

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The IUPAC name of N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine (CID 170216343) is N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The canonical SMILES for N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine is CC(C)(C)c1ccc(-c2ccccc2N(c2cccc(-c3cccc4c3C(C)(C)c3ccccc3-4)c2)c2ccc3c(c2)C(C)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The InChIKey is VRXGZBXVSQLXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H49N/c1-55(2,3)40-32-30-38(31-33-40)44-22-12-15-29-53(44)58(43-34-35-48-46-23-11-14-28-51(46)57(6,52(48)37-43)41-19-8-7-9-20-41)42-21-16-18-39(36-42)45-25-17-26-49-47-24-10-13-27-50(47)56(4,5)54(45)49/h7-37H,1-6H3.
What are the key properties of N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine has a molecular weight of 748.03 g/mol, XLogP of 15.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine is sourced from PubChem (CID 170216343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).