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

C64H47NO — CID 170143261

IUPAC2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)c3ccccc3-c3cccc4oc5c6ccccc6ccc5c34)cccc21
InChIInChI=1S/C64H47NO/c1-63(2)54-32-12-8-26-51(54)59-48(28-17-33-55(59)63)46-24-9-13-34-56(46)65(42-21-15-20-41(39-42)43-27-16-30-50-45-23-7-11-31-53(45)64(3,4)61(43)50)57-35-14-10-25-47(57)49-29-18-36-58-60(49)52-38-37-40-19-5-6-22-44(40)62(52)66-58/h5-39H,1-4H3
InChIKeyXUAYUZWAVDDEON-UHFFFAOYSA-N
MW846.09 g/mol
LogP17.82
Rot. Bonds6

About 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

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 (PubChem CID 170143261) has the molecular formula C64H47NO and a molecular weight of 846.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
PubChem CID170143261
Molecular FormulaC64H47NO
Molecular Weight846.09 g/mol
Exact Mass845.37
IUPAC Name2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)c3ccccc3-c3cccc4oc5c6ccccc6ccc5c34)cccc21
InChIInChI=1S/C64H47NO/c1-63(2)54-32-12-8-26-51(54)59-48(28-17-33-55(59)63)46-24-9-13-34-56(46)65(42-21-15-20-41(39-42)43-27-16-30-50-45-23-7-11-31-53(45)64(3,4)61(43)50)57-35-14-10-25-47(57)49-29-18-36-58-60(49)52-38-37-40-19-5-6-22-44(40)62(52)66-58/h5-39H,1-4H3
InChIKeyXUAYUZWAVDDEON-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

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Related Compounds

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
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
9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-1-amine
CID 166938674
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170137694
9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine
CID 166938669
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 167330802
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine
CID 170142102
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-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 166938756
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-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170143480
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)c3ccccc3-c3cccc4oc5c6ccccc6ccc5c34)cccc21.
What is the InChIKey of 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?
The InChIKey is XUAYUZWAVDDEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47NO/c1-63(2)54-32-12-8-26-51(54)59-48(28-17-33-55(59)63)46-24-9-13-34-56(46)65(42-21-15-20-41(39-42)43-27-16-30-50-45-23-7-11-31-53(45)64(3,4)61(43)50)57-35-14-10-25-47(57)49-29-18-36-58-60(49)52-38-37-40-19-5-6-22-44(40)62(52)66-58/h5-39H,1-4H3.
What are the key properties of 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?
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 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-4-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline is sourced from PubChem (CID 170143261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).