N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine

C56H39NO — CID 166679205

IUPACN,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
SMILESc1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2O3)cc1
InChIInChI=1S/C56H39NO/c1-5-19-40(20-6-1)55(49-29-15-13-27-47(49)48-28-14-16-30-50(48)55)43-33-35-45(36-34-43)57(44-25-11-4-12-26-44)46-37-38-54-52(39-46)56(41-21-7-2-8-22-41,42-23-9-3-10-24-42)51-31-17-18-32-53(51)58-54/h1-39H
InChIKeyVTVBYVNERZKOPZ-UHFFFAOYSA-N
MW741.93 g/mol
LogP14.01
Rot. Bonds7

About N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine

N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine (PubChem CID 166679205) has the molecular formula C56H39NO and a molecular weight of 741.93 g/mol. Its IUPAC name is N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine.

Molecular Properties

Compound NameN,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
PubChem CID166679205
Molecular FormulaC56H39NO
Molecular Weight741.93 g/mol
Exact Mass741.30
IUPAC NameN,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
SMILESc1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2O3)cc1
InChIInChI=1S/C56H39NO/c1-5-19-40(20-6-1)55(49-29-15-13-27-47(49)48-28-14-16-30-50(48)55)43-33-35-45(36-34-43)57(44-25-11-4-12-26-44)46-37-38-54-52(39-46)56(41-21-7-2-8-22-41,42-23-9-3-10-24-42)51-31-17-18-32-53(51)58-54/h1-39H
InChIKeyVTVBYVNERZKOPZ-UHFFFAOYSA-N
XLogP14.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.93
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 166679392
N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240655
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
CID 90154251
N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 169293009
N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine
CID 152880962
1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine
CID 154966647
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenylspiro[fluorene-9,9'-xanthene]-2,2',7,7'-tetramine
CID 132604176
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679140

Frequently Asked Questions

What is the IUPAC name of N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine?
The IUPAC name of N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine (CID 166679205) is N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine.
What is the SMILES notation for N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine?
The canonical SMILES for N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine is c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2O3)cc1.
What is the InChIKey of N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine?
The InChIKey is VTVBYVNERZKOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NO/c1-5-19-40(20-6-1)55(49-29-15-13-27-47(49)48-28-14-16-30-50(48)55)43-33-35-45(36-34-43)57(44-25-11-4-12-26-44)46-37-38-54-52(39-46)56(41-21-7-2-8-22-41,42-23-9-3-10-24-42)51-31-17-18-32-53(51)58-54/h1-39H.
What are the key properties of N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine?
N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine has a molecular weight of 741.93 g/mol, XLogP of 14.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine is sourced from PubChem (CID 166679205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).