N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine

C66H41NO2 — CID 138476565

IUPACN-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C66H41NO2/c1-2-18-42(19-3-1)45-37-39-60(50-23-5-4-20-46(45)50)67(43-35-38-54-51(40-43)48-22-7-9-25-53(48)65(54)55-26-10-14-30-61(55)68-62-31-15-11-27-56(62)65)44-34-36-49-47-21-6-8-24-52(47)66(59(49)41-44)57-28-12-16-32-63(57)69-64-33-17-13-29-58(64)66/h1-41H
InChIKeyLDBSQHGUZDKGOP-UHFFFAOYSA-N
MW880.06 g/mol
LogP16.91
Rot. Bonds4

About N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine

N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 138476565) has the molecular formula C66H41NO2 and a molecular weight of 880.06 g/mol. Its IUPAC name is N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID138476565
Molecular FormulaC66H41NO2
Molecular Weight880.06 g/mol
Exact Mass879.31
IUPAC NameN-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C66H41NO2/c1-2-18-42(19-3-1)45-37-39-60(50-23-5-4-20-46(45)50)67(43-35-38-54-51(40-43)48-22-7-9-25-53(48)65(54)55-26-10-14-30-61(55)68-62-31-15-11-27-56(62)65)44-34-36-49-47-21-6-8-24-52(47)66(59(49)41-44)57-28-12-16-32-63(57)69-64-33-17-13-29-58(64)66/h1-41H
InChIKeyLDBSQHGUZDKGOP-UHFFFAOYSA-N
XLogP16.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.06
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476060
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477523
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167178058
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476600
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
CID 138476453
N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477446
N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794073
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477897
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 155114386
N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 170116159
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine (CID 138476565) is N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3ccccc23)cc1.
What is the InChIKey of N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is LDBSQHGUZDKGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41NO2/c1-2-18-42(19-3-1)45-37-39-60(50-23-5-4-20-46(45)50)67(43-35-38-54-51(40-43)48-22-7-9-25-53(48)65(54)55-26-10-14-30-61(55)68-62-31-15-11-27-56(62)65)44-34-36-49-47-21-6-8-24-52(47)66(59(49)41-44)57-28-12-16-32-63(57)69-64-33-17-13-29-58(64)66/h1-41H.
What are the key properties of N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine?
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 880.06 g/mol, XLogP of 16.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 138476565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).