3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline

C55H37NO — CID 170666333

IUPAC3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1ccc(-c2c(-c3cccc4oc5ccccc5c34)cccc2N(c2ccccc2)c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C55H37NO/c1-4-19-38(20-5-1)53-45(46-31-18-36-52-54(46)47-29-12-15-35-51(47)57-52)30-17-34-50(53)56(41-24-8-3-9-25-41)42-26-16-23-40(37-42)55(39-21-6-2-7-22-39)48-32-13-10-27-43(48)44-28-11-14-33-49(44)55/h1-37H
InChIKeyIAPIWVDSVBOQAY-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.75
Rot. Bonds7

About 3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline

3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline (PubChem CID 170666333) has the molecular formula C55H37NO and a molecular weight of 727.91 g/mol. Its IUPAC name is 3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline.

Molecular Properties

Compound Name3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
PubChem CID170666333
Molecular FormulaC55H37NO
Molecular Weight727.91 g/mol
Exact Mass727.29
IUPAC Name3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1ccc(-c2c(-c3cccc4oc5ccccc5c34)cccc2N(c2ccccc2)c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C55H37NO/c1-4-19-38(20-5-1)53-45(46-31-18-36-52-54(46)47-29-12-15-35-51(47)57-52)30-17-34-50(53)56(41-24-8-3-9-25-41)42-26-16-23-40(37-42)55(39-21-6-2-7-22-39)48-32-13-10-27-43(48)44-28-11-14-33-49(44)55/h1-37H
InChIKeyIAPIWVDSVBOQAY-UHFFFAOYSA-N
XLogP14.75
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(9-phenylfluoren-9-yl)phenyl]-N,1-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177281054
1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine
CID 155096765
N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759950
3-N-dibenzofuran-3-yl-1-N-(9,9-diphenylfluoren-4-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 155096767
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 135195874
N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 160590087
N-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163940771
3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096638
N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 156524645
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267119
N-(9,9-diphenylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168790790
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 126701110

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline?
The IUPAC name of 3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline (CID 170666333) is 3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline.
What is the SMILES notation for 3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline?
The canonical SMILES for 3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline is c1ccc(-c2c(-c3cccc4oc5ccccc5c34)cccc2N(c2ccccc2)c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline?
The InChIKey is IAPIWVDSVBOQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO/c1-4-19-38(20-5-1)53-45(46-31-18-36-52-54(46)47-29-12-15-35-51(47)57-52)30-17-34-50(53)56(41-24-8-3-9-25-41)42-26-16-23-40(37-42)55(39-21-6-2-7-22-39)48-32-13-10-27-43(48)44-28-11-14-33-49(44)55/h1-37H.
What are the key properties of 3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline?
3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline has a molecular weight of 727.91 g/mol, XLogP of 14.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline is sourced from PubChem (CID 170666333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).