N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine

C58H45N — CID 156558367

IUPACN-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccc(-c5cccc6c5-c5ccccc5C6(C)C)cc4)c4ccc5ccccc5c4-c4ccccc4)c3)ccc21
InChIInChI=1S/C58H45N/c1-57(2)50-25-12-10-22-47(50)49-37-42(30-34-52(49)57)41-19-14-20-44(36-41)59(54-35-31-38-16-8-9-21-45(38)55(54)40-17-6-5-7-18-40)43-32-28-39(29-33-43)46-24-15-27-53-56(46)48-23-11-13-26-51(48)58(53,3)4/h5-37H,1-4H3
InChIKeyGBRYUSHRPCGLMN-UHFFFAOYSA-N
MW756.01 g/mol
LogP15.92
Rot. Bonds6

About N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine

N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine (PubChem CID 156558367) has the molecular formula C58H45N and a molecular weight of 756.01 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine
PubChem CID156558367
Molecular FormulaC58H45N
Molecular Weight756.01 g/mol
Exact Mass755.36
IUPAC NameN-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccc(-c5cccc6c5-c5ccccc5C6(C)C)cc4)c4ccc5ccccc5c4-c4ccccc4)c3)ccc21
InChIInChI=1S/C58H45N/c1-57(2)50-25-12-10-22-47(50)49-37-42(30-34-52(49)57)41-19-14-20-44(36-41)59(54-35-31-38-16-8-9-21-45(38)55(54)40-17-6-5-7-18-40)43-32-28-39(29-33-43)46-24-15-27-53-56(46)48-23-11-13-26-51(48)58(53,3)4/h5-37H,1-4H3
InChIKeyGBRYUSHRPCGLMN-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.01
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-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

9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)-N,5-bis(4-phenylphenyl)fluoren-2-amine
CID 170417648
3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286747
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169019629
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine
CID 176611821
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 170417565
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 169020312
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,3-bis(4-naphthalen-1-ylphenyl)aniline
CID 169019530
9,9-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170417611
9,9-dimethyl-N,5-diphenyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417792
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)-10-phenylbenzo[a]phenalen-1-amine
CID 167232240

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine?
The IUPAC name of N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine (CID 156558367) is N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine?
The canonical SMILES for N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine is CC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccc(-c5cccc6c5-c5ccccc5C6(C)C)cc4)c4ccc5ccccc5c4-c4ccccc4)c3)ccc21.
What is the InChIKey of N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine?
The InChIKey is GBRYUSHRPCGLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N/c1-57(2)50-25-12-10-22-47(50)49-37-42(30-34-52(49)57)41-19-14-20-44(36-41)59(54-35-31-38-16-8-9-21-45(38)55(54)40-17-6-5-7-18-40)43-32-28-39(29-33-43)46-24-15-27-53-56(46)48-23-11-13-26-51(48)58(53,3)4/h5-37H,1-4H3.
What are the key properties of N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine?
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine has a molecular weight of 756.01 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine is sourced from PubChem (CID 156558367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).