N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline

C56H39NO — CID 166679392

IUPACN-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
SMILESc1ccc(N(c2cccc(C3(c4ccccc4)c4ccccc4Oc4ccccc43)c2)c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C56H39NO/c1-4-20-40(21-5-1)55(49-32-12-10-30-47(49)48-31-11-13-33-50(48)55)42-24-18-28-45(38-42)57(44-26-8-3-9-27-44)46-29-19-25-43(39-46)56(41-22-6-2-7-23-41)51-34-14-16-36-53(51)58-54-37-17-15-35-52(54)56/h1-39H
InChIKeyXMKYZMHZTLOQAZ-UHFFFAOYSA-N
MW741.93 g/mol
LogP14.01
Rot. Bonds7

About N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline

N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline (PubChem CID 166679392) has the molecular formula C56H39NO and a molecular weight of 741.93 g/mol. Its IUPAC name is N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
PubChem CID166679392
Molecular FormulaC56H39NO
Molecular Weight741.93 g/mol
Exact Mass741.30
IUPAC NameN-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
SMILESc1ccc(N(c2cccc(C3(c4ccccc4)c4ccccc4Oc4ccccc43)c2)c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C56H39NO/c1-4-20-40(21-5-1)55(49-32-12-10-30-47(49)48-31-11-13-33-50(48)55)42-24-18-28-45(38-42)57(44-26-8-3-9-27-44)46-29-19-25-43(39-46)56(41-22-6-2-7-23-41)51-34-14-16-36-53(51)58-54-37-17-15-35-52(54)56/h1-39H
InChIKeyXMKYZMHZTLOQAZ-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

1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 138519596
N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679205
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
CID 90154251
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679140
N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 169293009
2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 90153719
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
1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine
CID 154966647
N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240655
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 166679306

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline?
The IUPAC name of N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline (CID 166679392) is N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline.
What is the SMILES notation for N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline?
The canonical SMILES for N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline is c1ccc(N(c2cccc(C3(c4ccccc4)c4ccccc4Oc4ccccc43)c2)c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline?
The InChIKey is XMKYZMHZTLOQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NO/c1-4-20-40(21-5-1)55(49-32-12-10-30-47(49)48-31-11-13-33-50(48)55)42-24-18-28-45(38-42)57(44-26-8-3-9-27-44)46-29-19-25-43(39-46)56(41-22-6-2-7-23-41)51-34-14-16-36-53(51)58-54-37-17-15-35-52(54)56/h1-39H.
What are the key properties of N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline?
N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline 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-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline is sourced from PubChem (CID 166679392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).