N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine

C66H41NO2 — CID 138476453

IUPACN-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2cc4ccccc4cc2C32c3ccccc3Oc3ccccc32)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C66H41NO2/c1-2-18-42(19-3-1)47-22-7-13-29-60(47)67(46-34-36-49-48-23-6-8-24-52(48)65(59(49)41-46)54-25-9-14-30-61(54)68-62-31-15-10-26-55(62)65)45-35-37-53-51(40-45)50-38-43-20-4-5-21-44(43)39-58(50)66(53)56-27-11-16-32-63(56)69-64-33-17-12-28-57(64)66/h1-41H
InChIKeyYQTVYVQNJVQAAM-UHFFFAOYSA-N
MW880.06 g/mol
LogP16.91
Rot. Bonds4

About N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine

N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine (PubChem CID 138476453) has the molecular formula C66H41NO2 and a molecular weight of 880.06 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
PubChem CID138476453
Molecular FormulaC66H41NO2
Molecular Weight880.06 g/mol
Exact Mass879.31
IUPAC NameN-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2cc4ccccc4cc2C32c3ccccc3Oc3ccccc32)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C66H41NO2/c1-2-18-42(19-3-1)47-22-7-13-29-60(47)67(46-34-36-49-48-23-6-8-24-52(48)65(59(49)41-46)54-25-9-14-30-61(54)68-62-31-15-10-26-55(62)65)45-35-37-53-51(40-45)50-38-43-20-4-5-21-44(43)39-58(50)66(53)56-27-11-16-32-63(56)69-64-33-17-12-28-57(64)66/h1-41H
InChIKeyYQTVYVQNJVQAAM-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-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-7-amine
CID 138476359
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]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
CID 138477050
N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477446
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477897
N-naphthalen-2-yl-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240516
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
CID 138477870
N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240652
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-4-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 159817922
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476565
N-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 167177160
3-N,11-N'-diphenyl-3-N,11-N'-bis(2-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-3,11'-diamine
CID 130264087

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine?
The IUPAC name of N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine (CID 138476453) is N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)-c2cc4ccccc4cc2C32c3ccccc3Oc3ccccc32)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine?
The InChIKey is YQTVYVQNJVQAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41NO2/c1-2-18-42(19-3-1)47-22-7-13-29-60(47)67(46-34-36-49-48-23-6-8-24-52(48)65(59(49)41-46)54-25-9-14-30-61(54)68-62-31-15-10-26-55(62)65)45-35-37-53-51(40-45)50-38-43-20-4-5-21-44(43)39-58(50)66(53)56-27-11-16-32-63(56)69-64-33-17-12-28-57(64)66/h1-41H.
What are the key properties of N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine?
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-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-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine is sourced from PubChem (CID 138476453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).