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

C57H39NO — CID 156549425

IUPACN-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4oc6ccccc6c4C5(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C57H39NO/c1-5-15-40(16-6-1)42-25-32-48(33-26-42)58(49-34-27-43(28-35-49)41-17-7-2-8-18-41)50-36-29-44(30-37-50)45-31-38-53-52(39-45)56-55(51-23-13-14-24-54(51)59-56)57(53,46-19-9-3-10-20-46)47-21-11-4-12-22-47/h1-39H
InChIKeyVNUUXQPTJOTKPL-UHFFFAOYSA-N
MW753.95 g/mol
LogP15.27
Rot. Bonds8

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

N-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 156549425) has the molecular formula C57H39NO and a molecular weight of 753.95 g/mol. Its IUPAC name is N-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID156549425
Molecular FormulaC57H39NO
Molecular Weight753.95 g/mol
Exact Mass753.30
IUPAC NameN-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4oc6ccccc6c4C5(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C57H39NO/c1-5-15-40(16-6-1)42-25-32-48(33-26-42)58(49-34-27-43(28-35-49)41-17-7-2-8-18-41)50-36-29-44(30-37-50)45-31-38-53-52(39-45)56-55(51-23-13-14-24-54(51)59-56)57(53,46-19-9-3-10-20-46)47-21-11-4-12-22-47/h1-39H
InChIKeyVNUUXQPTJOTKPL-UHFFFAOYSA-N
XLogP15.27
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline
CID 156827028
N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 156550129
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine
CID 171401514
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425112
N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine
CID 134551177
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N-naphthalen-1-yl-N,10,10-triphenylindeno[1,2-b][1]benzofuran-2-amine
CID 156550128
N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839908
8,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 170373501
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143

Frequently Asked Questions

What is the IUPAC name of N-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 156549425) is N-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4oc6ccccc6c4C5(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is VNUUXQPTJOTKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO/c1-5-15-40(16-6-1)42-25-32-48(33-26-42)58(49-34-27-43(28-35-49)41-17-7-2-8-18-41)50-36-29-44(30-37-50)45-31-38-53-52(39-45)56-55(51-23-13-14-24-54(51)59-56)57(53,46-19-9-3-10-20-46)47-21-11-4-12-22-47/h1-39H.
What are the key properties of N-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 753.95 g/mol, XLogP of 15.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 156549425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).