N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline

C67H57N — CID 170294072

IUPACN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4)c4ccccc4-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C67H57N/c1-65(2,3)50-43-47(44-51(45-50)66(4,5)6)53-36-22-25-46-26-23-37-56(63(46)53)54-33-17-20-41-61(54)68(52-31-14-9-15-32-52)62-42-21-18-34-55(62)57-38-24-40-60-64(57)58-35-16-19-39-59(58)67(60,48-27-10-7-11-28-48)49-29-12-8-13-30-49/h7-45H,1-6H3
InChIKeyPJMXQNVONRIIIU-UHFFFAOYSA-N
MW876.20 g/mol
LogP18.27
Rot. Bonds8

About N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline (PubChem CID 170294072) has the molecular formula C67H57N and a molecular weight of 876.20 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline.

Molecular Properties

Compound NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline
PubChem CID170294072
Molecular FormulaC67H57N
Molecular Weight876.20 g/mol
Exact Mass875.45
IUPAC NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4)c4ccccc4-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C67H57N/c1-65(2,3)50-43-47(44-51(45-50)66(4,5)6)53-36-22-25-46-26-23-37-56(63(46)53)54-33-17-20-41-61(54)68(52-31-14-9-15-32-52)62-42-21-18-34-55(62)57-38-24-40-60-64(57)58-35-16-19-39-59(58)67(60,48-27-10-7-11-28-48)49-29-12-8-13-30-49/h7-45H,1-6H3
InChIKeyPJMXQNVONRIIIU-UHFFFAOYSA-N
XLogP18.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.20
LogP ≤ 518.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-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-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine
CID 170303969
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]aniline
CID 170293847
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-amine
CID 170302160
2-(8-cyclohexylnaphthalen-1-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]aniline
CID 170293343
3,5-ditert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291584
N-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291967
2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170304818
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 170304007
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-1-amine
CID 170302131
N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline
CID 170288404
4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline
CID 170288774
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2,4-diphenylaniline
CID 170293885

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline?
The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline (CID 170294072) is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline.
What is the SMILES notation for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline?
The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4)c4ccccc4-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c23)cc(C(C)(C)C)c1.
What is the InChIKey of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline?
The InChIKey is PJMXQNVONRIIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H57N/c1-65(2,3)50-43-47(44-51(45-50)66(4,5)6)53-36-22-25-46-26-23-37-56(63(46)53)54-33-17-20-41-61(54)68(52-31-14-9-15-32-52)62-42-21-18-34-55(62)57-38-24-40-60-64(57)58-35-16-19-39-59(58)67(60,48-27-10-7-11-28-48)49-29-12-8-13-30-49/h7-45H,1-6H3.
What are the key properties of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline?
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline has a molecular weight of 876.20 g/mol, XLogP of 18.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-diphenylfluoren-4-yl)-N-phenylaniline is sourced from PubChem (CID 170294072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).