5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

C59H39NO — CID 176808325

IUPAC5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3ccc4c(c3)oc3cc(-c5ccccc5)c5ccccc5c34)cc2)cc1
InChIInChI=1S/C59H39NO/c1-4-17-40(18-5-1)41-31-33-45(34-32-41)60(47-35-36-52-56(38-47)61-57-39-53(42-19-6-2-7-20-42)48-25-10-11-28-51(48)58(52)57)46-24-16-23-44(37-46)59(43-21-8-3-9-22-43)54-29-14-12-26-49(54)50-27-13-15-30-55(50)59/h1-39H
InChIKeyJUULYAWYNJLMSF-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.91
Rot. Bonds7

About 5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 176808325) has the molecular formula C59H39NO and a molecular weight of 777.97 g/mol. Its IUPAC name is 5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound Name5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID176808325
Molecular FormulaC59H39NO
Molecular Weight777.97 g/mol
Exact Mass777.30
IUPAC Name5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3ccc4c(c3)oc3cc(-c5ccccc5)c5ccccc5c34)cc2)cc1
InChIInChI=1S/C59H39NO/c1-4-17-40(18-5-1)41-31-33-45(34-32-41)60(47-35-36-52-56(38-47)61-57-39-53(42-19-6-2-7-20-42)48-25-10-11-28-51(48)58(52)57)46-24-16-23-44(37-46)59(43-21-8-3-9-22-43)54-29-14-12-26-49(54)50-27-13-15-30-55(50)59/h1-39H
InChIKeyJUULYAWYNJLMSF-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,7-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 163960848
N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-[9-(3-phenylphenyl)fluoren-9-yl]dibenzofuran-3-amine
CID 163514817
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine
CID 171402013
5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176844259
N-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline
CID 163630205
N-phenyl-7-[9-(3-phenylphenyl)fluoren-9-yl]-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 163646447
N-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163940771
3-N-dibenzofuran-2-yl-3-N-(9,9-diphenylfluoren-3-yl)-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine;3-N-dibenzofuran-3-yl-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-3-yl-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 157167545
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
3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096723
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of 5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 176808325) is 5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for 5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for 5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3ccc4c(c3)oc3cc(-c5ccccc5)c5ccccc5c34)cc2)cc1.
What is the InChIKey of 5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is JUULYAWYNJLMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NO/c1-4-17-40(18-5-1)41-31-33-45(34-32-41)60(47-35-36-52-56(38-47)61-57-39-53(42-19-6-2-7-20-42)48-25-10-11-28-51(48)58(52)57)46-24-16-23-44(37-46)59(43-21-8-3-9-22-43)54-29-14-12-26-49(54)50-27-13-15-30-55(50)59/h1-39H.
What are the key properties of 5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-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 5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 176808325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).