2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline

C61H41NO — CID 167177854

IUPAC2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5cccc6c5C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)cc4)c4ccccc4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C61H41NO/c1-3-18-42(19-4-1)45-22-15-23-46(40-45)47-24-16-25-49(41-47)62(57-33-12-8-26-50(57)43-20-5-2-6-21-43)48-38-36-44(37-39-48)51-28-17-29-53-52-27-7-9-30-54(52)61(60(51)53)55-31-10-13-34-58(55)63-59-35-14-11-32-56(59)61/h1-41H
InChIKeyGZUUVPIKDHOENK-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.29
Rot. Bonds7

About 2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline

2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline (PubChem CID 167177854) has the molecular formula C61H41NO and a molecular weight of 804.01 g/mol. Its IUPAC name is 2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline.

Molecular Properties

Compound Name2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline
PubChem CID167177854
Molecular FormulaC61H41NO
Molecular Weight804.01 g/mol
Exact Mass803.32
IUPAC Name2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5cccc6c5C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)cc4)c4ccccc4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C61H41NO/c1-3-18-42(19-4-1)45-22-15-23-46(40-45)47-24-16-25-49(41-47)62(57-33-12-8-26-50(57)43-20-5-2-6-21-43)48-38-36-44(37-39-48)51-28-17-29-53-52-27-7-9-30-54(52)61(60(51)53)55-31-10-13-34-58(55)63-59-35-14-11-32-56(59)61/h1-41H
InChIKeyGZUUVPIKDHOENK-UHFFFAOYSA-N
XLogP16.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476977
N-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 167177160
N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477499
N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 157110202
N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 138476217
N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-2-yl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138477783
2-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 90154256
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 160562558
N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477025
N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477446
2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 90153719
N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 167178064

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline?
The IUPAC name of 2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline (CID 167177854) is 2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline.
What is the SMILES notation for 2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline?
The canonical SMILES for 2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline is c1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5cccc6c5C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)cc4)c4ccccc4-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline?
The InChIKey is GZUUVPIKDHOENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO/c1-3-18-42(19-4-1)45-22-15-23-46(40-45)47-24-16-25-49(41-47)62(57-33-12-8-26-50(57)43-20-5-2-6-21-43)48-38-36-44(37-39-48)51-28-17-29-53-52-27-7-9-30-54(52)61(60(51)53)55-31-10-13-34-58(55)63-59-35-14-11-32-56(59)61/h1-41H.
What are the key properties of 2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline?
2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline has a molecular weight of 804.01 g/mol, XLogP of 16.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline is sourced from PubChem (CID 167177854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).