N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine

C59H39NO — CID 170676804

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccccc4N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc5ccccc45)cccc32)cc1
InChIInChI=1S/C59H39NO/c1-3-20-42(21-4-1)59(43-22-5-2-6-23-43)52-31-12-9-27-51(52)57-49(29-17-32-53(57)59)47-25-10-13-33-55(47)60(54-34-15-19-40-18-7-8-24-45(40)54)44-38-36-41(37-39-44)46-28-16-30-50-48-26-11-14-35-56(48)61-58(46)50/h1-39H
InChIKeyRMFMYPOKIOSOBN-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.91
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine

N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine (PubChem CID 170676804) has the molecular formula C59H39NO and a molecular weight of 777.97 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine
PubChem CID170676804
Molecular FormulaC59H39NO
Molecular Weight777.97 g/mol
Exact Mass777.30
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccccc4N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc5ccccc45)cccc32)cc1
InChIInChI=1S/C59H39NO/c1-3-20-42(21-4-1)59(43-22-5-2-6-23-43)52-31-12-9-27-51(52)57-49(29-17-32-53(57)59)47-25-10-13-33-55(47)60(54-34-15-19-40-18-7-8-24-45(40)54)44-38-36-41(37-39-44)46-28-16-30-50-48-26-11-14-35-56(48)61-58(46)50/h1-39H
InChIKeyRMFMYPOKIOSOBN-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-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 146251247
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenylaniline;2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 157436588
N-(2-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 157325152
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167325973
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 172544730
9-(4-dibenzofuran-4-ylphenyl)-N,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769017
N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 169019837
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
CID 169302165
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 170676822
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 146251209
N-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769011

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine (CID 170676804) is N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccccc4N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc5ccccc45)cccc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine?
The InChIKey is RMFMYPOKIOSOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NO/c1-3-20-42(21-4-1)59(43-22-5-2-6-23-43)52-31-12-9-27-51(52)57-49(29-17-32-53(57)59)47-25-10-13-33-55(47)60(54-34-15-19-40-18-7-8-24-45(40)54)44-38-36-41(37-39-44)46-28-16-30-50-48-26-11-14-35-56(48)61-58(46)50/h1-39H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-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-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 170676804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).