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

C66H43NO2 — CID 166679306

IUPACN-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(C2(c3cccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4ccc5c(c4)oc4c6ccccc6ccc54)c3)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C66H43NO2/c1-3-19-45(20-4-1)65(57-28-11-9-26-53(57)54-27-10-12-29-58(54)65)47-35-37-49(38-36-47)67(51-39-41-55-56-40-34-44-18-7-8-25-52(44)64(56)69-63(55)43-51)50-24-17-23-48(42-50)66(46-21-5-2-6-22-46)59-30-13-15-32-61(59)68-62-33-16-14-31-60(62)66/h1-43H
InChIKeyNRVISRZISTUJDT-UHFFFAOYSA-N
MW882.08 g/mol
LogP17.06
Rot. Bonds7

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

N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 166679306) has the molecular formula C66H43NO2 and a molecular weight of 882.08 g/mol. Its IUPAC name is N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
PubChem CID166679306
Molecular FormulaC66H43NO2
Molecular Weight882.08 g/mol
Exact Mass881.33
IUPAC NameN-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(C2(c3cccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4ccc5c(c4)oc4c6ccccc6ccc54)c3)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C66H43NO2/c1-3-19-45(20-4-1)65(57-28-11-9-26-53(57)54-27-10-12-29-58(54)65)47-35-37-49(38-36-47)67(51-39-41-55-56-40-34-44-18-7-8-25-52(44)64(56)69-63(55)43-51)50-24-17-23-48(42-50)66(46-21-5-2-6-22-46)59-30-13-15-32-61(59)68-62-33-16-14-31-60(62)66/h1-43H
InChIKeyNRVISRZISTUJDT-UHFFFAOYSA-N
XLogP17.06
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.08
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 166679392
N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022155
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 167330969
N-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine
CID 166849505
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 177121964
N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794531
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 177121793
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-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 135195874
1-N-dibenzofuran-3-yl-1-N-(9,9-diphenylfluoren-2-yl)-3-N-naphtho[1,2-b][1]benzofuran-7-yl-3-N-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine
CID 148833125
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167330938
N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794801

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine (CID 166679306) is N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine is c1ccc(C2(c3cccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4ccc5c(c4)oc4c6ccccc6ccc54)c3)c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is NRVISRZISTUJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43NO2/c1-3-19-45(20-4-1)65(57-28-11-9-26-53(57)54-27-10-12-29-58(54)65)47-35-37-49(38-36-47)67(51-39-41-55-56-40-34-44-18-7-8-25-52(44)64(56)69-63(55)43-51)50-24-17-23-48(42-50)66(46-21-5-2-6-22-46)59-30-13-15-32-61(59)68-62-33-16-14-31-60(62)66/h1-43H.
What are the key properties of N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine?
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 882.08 g/mol, XLogP of 17.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 166679306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).