N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline

C61H41NO2 — CID 167330344

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc(-c5cccc6oc7c8ccccc8ccc7c56)cc4)cc3)c21
InChIInChI=1S/C61H41NO2/c1-61(2)53-20-7-5-14-49(53)50-19-9-18-47(59(50)61)41-28-35-44(36-29-41)62(42-31-24-39(25-32-42)45-16-10-22-55-57(45)51-15-6-8-21-54(51)63-55)43-33-26-40(27-34-43)46-17-11-23-56-58(46)52-37-30-38-12-3-4-13-48(38)60(52)64-56/h3-37H,1-2H3
InChIKeyGCSPHNYLKRBKAD-UHFFFAOYSA-N
MW820.00 g/mol
LogP17.42
Rot. Bonds6

About N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline

N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline (PubChem CID 167330344) has the molecular formula C61H41NO2 and a molecular weight of 820.00 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline
PubChem CID167330344
Molecular FormulaC61H41NO2
Molecular Weight820.00 g/mol
Exact Mass819.31
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc(-c5cccc6oc7c8ccccc8ccc7c56)cc4)cc3)c21
InChIInChI=1S/C61H41NO2/c1-61(2)53-20-7-5-14-49(53)50-19-9-18-47(59(50)61)41-28-35-44(36-29-41)62(42-31-24-39(25-32-42)45-16-10-22-55-57(45)51-15-6-8-21-54(51)63-55)43-33-26-40(27-34-43)46-17-11-23-56-58(46)52-37-30-38-12-3-4-13-48(38)60(52)64-56/h3-37H,1-2H3
InChIKeyGCSPHNYLKRBKAD-UHFFFAOYSA-N
XLogP17.42
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.00
LogP ≤ 517.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline 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]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 166938756
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167330357
N-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-4-amine
CID 166938750
N-(4-dibenzofuran-1-ylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167330776
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166938984
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine
CID 170215504
9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-1-amine
CID 166938674
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 167330802
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166939628
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine
CID 170217459
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 177121634
N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170542002

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline (CID 167330344) is N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc(-c5cccc6oc7c8ccccc8ccc7c56)cc4)cc3)c21.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline?
The InChIKey is GCSPHNYLKRBKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO2/c1-61(2)53-20-7-5-14-49(53)50-19-9-18-47(59(50)61)41-28-35-44(36-29-41)62(42-31-24-39(25-32-42)45-16-10-22-55-57(45)51-15-6-8-21-54(51)63-55)43-33-26-40(27-34-43)46-17-11-23-56-58(46)52-37-30-38-12-3-4-13-48(38)60(52)64-56/h3-37H,1-2H3.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline?
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline has a molecular weight of 820.00 g/mol, XLogP of 17.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline is sourced from PubChem (CID 167330344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).