N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine

C59H39NO — CID 170302496

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5oc6ccccc6c45)c23)cc1
InChIInChI=1S/C59H39NO/c1-4-19-40(20-5-1)45-30-16-21-41-22-17-31-49(57(41)45)48-28-11-14-33-53(48)60(54-34-18-36-56-58(54)50-29-12-15-35-55(50)61-56)44-37-38-47-46-27-10-13-32-51(46)59(52(47)39-44,42-23-6-2-7-24-42)43-25-8-3-9-26-43/h1-39H
InChIKeyIBSCMIQXWWVDGT-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.91
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine

N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine (PubChem CID 170302496) has the molecular formula C59H39NO and a molecular weight of 777.97 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
PubChem CID170302496
Molecular FormulaC59H39NO
Molecular Weight777.97 g/mol
Exact Mass777.30
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5oc6ccccc6c45)c23)cc1
InChIInChI=1S/C59H39NO/c1-4-19-40(20-5-1)45-30-16-21-41-22-17-31-49(57(41)45)48-28-11-14-33-53(48)60(54-34-18-36-56-58(54)50-29-12-15-35-55(50)61-56)44-37-38-47-46-27-10-13-32-51(46)59(52(47)39-44,42-23-6-2-7-24-42)43-25-8-3-9-26-43/h1-39H
InChIKeyIBSCMIQXWWVDGT-UHFFFAOYSA-N
XLogP15.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170302589
N-(2-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324852
N-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423752
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583375
N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-1-amine
CID 168811960
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717052
N-(9,9-diphenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119009
N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 167309850
N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 176583359
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 170535410
N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine
CID 169039724

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine (CID 170302496) is N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5oc6ccccc6c45)c23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is IBSCMIQXWWVDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NO/c1-4-19-40(20-5-1)45-30-16-21-41-22-17-31-49(57(41)45)48-28-11-14-33-53(48)60(54-34-18-36-56-58(54)50-29-12-15-35-55(50)61-56)44-37-38-47-46-27-10-13-32-51(46)59(52(47)39-44,42-23-6-2-7-24-42)43-25-8-3-9-26-43/h1-39H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 777.97 g/mol, XLogP of 15.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 170302496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).