3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline

C61H41NO2 — CID 166005546

IUPAC3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc(C4(c5cccc(-c6ccccc6)c5)c5ccccc5-c5c4ccc4c5Oc5ccccc5O4)c3)c2)cc1
InChIInChI=1S/C61H41NO2/c1-4-18-42(19-5-1)45-24-14-27-48(38-45)61(54-33-11-10-32-53(54)59-55(61)36-37-58-60(59)64-57-35-13-12-34-56(57)63-58)49-28-17-31-52(41-49)62(50-29-15-25-46(39-50)43-20-6-2-7-21-43)51-30-16-26-47(40-51)44-22-8-3-9-23-44/h1-41H
InChIKeyQDVHLJZTRSYFMP-UHFFFAOYSA-N
MW820.00 g/mol
LogP16.42
Rot. Bonds8

About 3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline

3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline (PubChem CID 166005546) has the molecular formula C61H41NO2 and a molecular weight of 820.00 g/mol. Its IUPAC name is 3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline.

Molecular Properties

Compound Name3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline
PubChem CID166005546
Molecular FormulaC61H41NO2
Molecular Weight820.00 g/mol
Exact Mass819.31
IUPAC Name3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc(C4(c5cccc(-c6ccccc6)c5)c5ccccc5-c5c4ccc4c5Oc5ccccc5O4)c3)c2)cc1
InChIInChI=1S/C61H41NO2/c1-4-18-42(19-5-1)45-24-14-27-48(38-45)61(54-33-11-10-32-53(54)59-55(61)36-37-58-60(59)64-57-35-13-12-34-56(57)63-58)49-28-17-31-52(41-49)62(50-29-15-25-46(39-50)43-20-6-2-7-21-43)51-30-16-26-47(40-51)44-22-8-3-9-23-44/h1-41H
InChIKeyQDVHLJZTRSYFMP-UHFFFAOYSA-N
XLogP16.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.00
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine
CID 129309035
N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline
CID 138582355
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582911
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582913
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
CID 90154251
N-[4-[8-(4-naphthalen-1-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166005616
N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline
CID 138582958
N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138582115
2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 138575639
N-(2-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
CID 138581589
N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582107
N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 166679392

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline?
The IUPAC name of 3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline (CID 166005546) is 3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline.
What is the SMILES notation for 3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline?
The canonical SMILES for 3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline is c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc(C4(c5cccc(-c6ccccc6)c5)c5ccccc5-c5c4ccc4c5Oc5ccccc5O4)c3)c2)cc1.
What is the InChIKey of 3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline?
The InChIKey is QDVHLJZTRSYFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO2/c1-4-18-42(19-5-1)45-24-14-27-48(38-45)61(54-33-11-10-32-53(54)59-55(61)36-37-58-60(59)64-57-35-13-12-34-56(57)63-58)49-28-17-31-52(41-49)62(50-29-15-25-46(39-50)43-20-6-2-7-21-43)51-30-16-26-47(40-51)44-22-8-3-9-23-44/h1-41H.
What are the key properties of 3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline?
3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline has a molecular weight of 820.00 g/mol, XLogP of 16.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline is sourced from PubChem (CID 166005546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).