2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline

C71H47NO — CID 176759929

IUPAC2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3cccc(C4(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccc4oc5cccc(-c6ccc7ccccc7c6)c5c4c3)cc2)cc1
InChIInChI=1S/C71H47NO/c1-3-17-48(18-4-1)51-35-40-56(41-36-51)71(65-29-12-9-26-62(65)63-27-10-13-30-66(63)71)57-23-15-24-59(47-57)72(58-42-37-52(38-43-58)49-19-5-2-6-20-49)67-31-14-11-25-60(67)55-39-44-68-64(46-55)70-61(28-16-32-69(70)73-68)54-34-33-50-21-7-8-22-53(50)45-54/h1-47H
InChIKeyAANHHEQNMQGQDG-UHFFFAOYSA-N
MW930.16 g/mol
LogP19.24
Rot. Bonds9

About 2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline

2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline (PubChem CID 176759929) has the molecular formula C71H47NO and a molecular weight of 930.16 g/mol. Its IUPAC name is 2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline.

Molecular Properties

Compound Name2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline
PubChem CID176759929
Molecular FormulaC71H47NO
Molecular Weight930.16 g/mol
Exact Mass929.37
IUPAC Name2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3cccc(C4(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccc4oc5cccc(-c6ccc7ccccc7c6)c5c4c3)cc2)cc1
InChIInChI=1S/C71H47NO/c1-3-17-48(18-4-1)51-35-40-56(41-36-51)71(65-29-12-9-26-62(65)63-27-10-13-30-66(63)71)57-23-15-24-59(47-57)72(58-42-37-52(38-43-58)49-19-5-2-6-20-49)67-31-14-11-25-60(67)55-39-44-68-64(46-55)70-61(28-16-32-69(70)73-68)54-34-33-50-21-7-8-22-53(50)45-54/h1-47H
InChIKeyAANHHEQNMQGQDG-UHFFFAOYSA-N
XLogP19.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.16
LogP ≤ 519.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759838
N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759950
N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681080
N-(2-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324852
3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096638
N-(9,9-diphenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759723
N-(3-dibenzofuran-1-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839679
N-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 118004616
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 170535022
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565735
N-(9,9-diphenylfluoren-2-yl)-7-naphthalen-2-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine
CID 159073587
3-dibenzofuran-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 159108609

Frequently Asked Questions

What is the IUPAC name of 2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline?
The IUPAC name of 2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline (CID 176759929) is 2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline.
What is the SMILES notation for 2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline?
The canonical SMILES for 2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3cccc(C4(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccc4oc5cccc(-c6ccc7ccccc7c6)c5c4c3)cc2)cc1.
What is the InChIKey of 2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline?
The InChIKey is AANHHEQNMQGQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47NO/c1-3-17-48(18-4-1)51-35-40-56(41-36-51)71(65-29-12-9-26-62(65)63-27-10-13-30-66(63)71)57-23-15-24-59(47-57)72(58-42-37-52(38-43-58)49-19-5-2-6-20-49)67-31-14-11-25-60(67)55-39-44-68-64(46-55)70-61(28-16-32-69(70)73-68)54-34-33-50-21-7-8-22-53(50)45-54/h1-47H.
What are the key properties of 2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline?
2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline has a molecular weight of 930.16 g/mol, XLogP of 19.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline is sourced from PubChem (CID 176759929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).