2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline

C64H47NO — CID 170143125

IUPAC2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3cccc(-c4cccc5oc6c7ccccc7ccc6c45)c3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C64H47NO/c1-63(2)54-29-12-8-25-51(54)60-50(27-16-30-55(60)63)49-24-10-14-32-58(49)65(57-31-13-9-21-44(57)42-35-36-48-47-23-7-11-28-53(47)64(3,4)56(48)39-42)43-20-15-19-41(38-43)45-26-17-33-59-61(45)52-37-34-40-18-5-6-22-46(40)62(52)66-59/h5-39H,1-4H3
InChIKeyVHBLDYKLPMROGT-UHFFFAOYSA-N
MW846.09 g/mol
LogP17.82
Rot. Bonds6

About 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline

2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline (PubChem CID 170143125) has the molecular formula C64H47NO and a molecular weight of 846.09 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
PubChem CID170143125
Molecular FormulaC64H47NO
Molecular Weight846.09 g/mol
Exact Mass845.37
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3cccc(-c4cccc5oc6c7ccccc7ccc6c45)c3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C64H47NO/c1-63(2)54-29-12-8-25-51(54)60-50(27-16-30-55(60)63)49-24-10-14-32-58(49)65(57-31-13-9-21-44(57)42-35-36-48-47-23-7-11-28-53(47)64(3,4)56(48)39-42)43-20-15-19-41(38-43)45-26-17-33-59-61(45)52-37-34-40-18-5-6-22-46(40)62(52)66-59/h5-39H,1-4H3
InChIKeyVHBLDYKLPMROGT-UHFFFAOYSA-N
XLogP17.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.09
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)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

2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 170143261
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166939628
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170137694
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 170217536
N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 170138885
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217158
N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 167330314
2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 170142044
2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170139876
9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-1-amine
CID 166938674
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
CID 167330924
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170143021

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline (CID 170143125) is 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3cccc(-c4cccc5oc6c7ccccc7ccc6c45)c3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?
The InChIKey is VHBLDYKLPMROGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47NO/c1-63(2)54-29-12-8-25-51(54)60-50(27-16-30-55(60)63)49-24-10-14-32-58(49)65(57-31-13-9-21-44(57)42-35-36-48-47-23-7-11-28-53(47)64(3,4)56(48)39-42)43-20-15-19-41(38-43)45-26-17-33-59-61(45)52-37-34-40-18-5-6-22-46(40)62(52)66-59/h5-39H,1-4H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?
2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline has a molecular weight of 846.09 g/mol, XLogP of 17.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline is sourced from PubChem (CID 170143125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).