N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

C59H39NO — CID 169022155

IUPACN-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc2)cc1
InChIInChI=1S/C59H39NO/c1-3-15-40(16-4-1)41-29-33-45(34-30-41)60(46-35-31-43(32-36-46)49-24-13-18-42-17-7-8-21-48(42)49)47-37-38-52-53-25-14-28-56(58(53)61-57(52)39-47)59(44-19-5-2-6-20-44)54-26-11-9-22-50(54)51-23-10-12-27-55(51)59/h1-39H
InChIKeyNNVCTONULGVBLK-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.91
Rot. Bonds7

About N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 169022155) has the molecular formula C59H39NO and a molecular weight of 777.97 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID169022155
Molecular FormulaC59H39NO
Molecular Weight777.97 g/mol
Exact Mass777.30
IUPAC NameN-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc2)cc1
InChIInChI=1S/C59H39NO/c1-3-15-40(16-4-1)41-29-33-45(34-30-41)60(46-35-31-43(32-36-46)49-24-13-18-42-17-7-8-21-48(42)49)47-37-38-52-53-25-14-28-56(58(53)61-57(52)39-47)59(44-19-5-2-6-20-44)54-26-11-9-22-50(54)51-23-10-12-27-55(51)59/h1-39H
InChIKeyNNVCTONULGVBLK-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-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 122593353
N-(4-naphthalen-1-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022149
N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine
CID 167566203
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 159324099
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
N,N-bis(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine;3-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 163659146
N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169021968
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 169302137
N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169022316
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-phenyldibenzofuran-3-amine
CID 169302169
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 166679306

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 169022155) is N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is NNVCTONULGVBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NO/c1-3-15-40(16-4-1)41-29-33-45(34-30-41)60(46-35-31-43(32-36-46)49-24-13-18-42-17-7-8-21-48(42)49)47-37-38-52-53-25-14-28-56(58(53)61-57(52)39-47)59(44-19-5-2-6-20-44)54-26-11-9-22-50(54)51-23-10-12-27-55(51)59/h1-39H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-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-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 169022155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).