N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline

C59H41NO2 — CID 156549410

IUPACN-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2cc(-c3cccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3)ccc2-c2oc3ccccc3c21
InChIInChI=1S/C59H41NO2/c1-59(2)53-37-45(27-33-50(53)58-57(59)51-16-7-9-18-55(51)62-58)43-13-10-14-48(35-43)60(46-29-23-41(24-30-46)40-21-19-39(20-22-40)38-11-4-3-5-12-38)47-31-25-42(26-32-47)44-28-34-56-52(36-44)49-15-6-8-17-54(49)61-56/h3-37H,1-2H3
InChIKeyOEJXKQBNEQSVCA-UHFFFAOYSA-N
MW795.98 g/mol
LogP16.78
Rot. Bonds7

About N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline

N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 156549410) has the molecular formula C59H41NO2 and a molecular weight of 795.98 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID156549410
Molecular FormulaC59H41NO2
Molecular Weight795.98 g/mol
Exact Mass795.31
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2cc(-c3cccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3)ccc2-c2oc3ccccc3c21
InChIInChI=1S/C59H41NO2/c1-59(2)53-37-45(27-33-50(53)58-57(59)51-16-7-9-18-55(51)62-58)43-13-10-14-48(35-43)60(46-29-23-41(24-30-46)40-21-19-39(20-22-40)38-11-4-3-5-12-38)47-31-25-42(26-32-47)44-28-34-56-52(36-44)49-15-6-8-17-54(49)61-56/h3-37H,1-2H3
InChIKeyOEJXKQBNEQSVCA-UHFFFAOYSA-N
XLogP16.78
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.98
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161197514
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964088
N-[4-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964102
N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 156549318
7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 157073472
N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine;N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159396574
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159384887
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-4-phenylaniline
CID 156549321
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;7-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;N,N,4-tris(4-dibenzofuran-2-ylphenyl)aniline
CID 158947437
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174245071
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 156549410) is N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline is CC1(C)c2cc(-c3cccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3)ccc2-c2oc3ccccc3c21.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is OEJXKQBNEQSVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41NO2/c1-59(2)53-37-45(27-33-50(53)58-57(59)51-16-7-9-18-55(51)62-58)43-13-10-14-48(35-43)60(46-29-23-41(24-30-46)40-21-19-39(20-22-40)38-11-4-3-5-12-38)47-31-25-42(26-32-47)44-28-34-56-52(36-44)49-15-6-8-17-54(49)61-56/h3-37H,1-2H3.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 795.98 g/mol, XLogP of 16.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 156549410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).