N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine

C59H39NO — CID 170675439

IUPACN-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc(-c4ccccc4)cc4oc5ccc6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C59H39NO/c1-5-17-40(18-6-1)42-29-32-47(33-30-42)60(54-37-44(41-19-7-2-8-20-41)38-56-58(54)57-49-26-14-13-21-43(49)31-36-55(57)61-56)48-34-35-51-50-27-15-16-28-52(50)59(53(51)39-48,45-22-9-3-10-23-45)46-24-11-4-12-25-46/h1-39H
InChIKeyIPOKCXBWKXGLHU-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.91
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine

N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 170675439) has the molecular formula C59H39NO and a molecular weight of 777.97 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
PubChem CID170675439
Molecular FormulaC59H39NO
Molecular Weight777.97 g/mol
Exact Mass777.30
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc(-c4ccccc4)cc4oc5ccc6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C59H39NO/c1-5-17-40(18-6-1)42-29-32-47(33-30-42)60(54-37-44(41-19-7-2-8-20-41)38-56-58(54)57-49-26-14-13-21-43(49)31-36-55(57)61-56)48-34-35-51-50-27-15-16-28-52(50)59(53(51)39-48,45-22-9-3-10-23-45)46-24-11-4-12-25-46/h1-39H
InChIKeyIPOKCXBWKXGLHU-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-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675305
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170675083
N-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine
CID 169293098
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121378
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170674956
N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 161172662
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-(9,9-diphenylfluoren-2-yl)-N-phenyl-6-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320689
N-(4-dibenzofuran-2-ylphenyl)-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675340
N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine (CID 170675439) is N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc(-c4ccccc4)cc4oc5ccc6ccccc6c5c34)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is IPOKCXBWKXGLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NO/c1-5-17-40(18-6-1)42-29-32-47(33-30-42)60(54-37-44(41-19-7-2-8-20-41)38-56-58(54)57-49-26-14-13-21-43(49)31-36-55(57)61-56)48-34-35-51-50-27-15-16-28-52(50)59(53(51)39-48,45-22-9-3-10-23-45)46-24-11-4-12-25-46/h1-39H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-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)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 170675439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).