N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline

C50H35NO — CID 174178797

IUPACN-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline
SMILESCN(c1ccc(-c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C50H35NO/c1-51(39-32-28-35(29-33-39)41-21-12-22-43-42-18-9-11-25-47(42)52-49(41)43)38-30-26-34(27-31-38)40-20-13-24-46-48(40)44-19-8-10-23-45(44)50(46,36-14-4-2-5-15-36)37-16-6-3-7-17-37/h2-33H,1H3
InChIKeyKFFPZNUNBKYHPK-UHFFFAOYSA-N
MW665.84 g/mol
LogP13.05
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline

N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline (PubChem CID 174178797) has the molecular formula C50H35NO and a molecular weight of 665.84 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline
PubChem CID174178797
Molecular FormulaC50H35NO
Molecular Weight665.84 g/mol
Exact Mass665.27
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline
SMILESCN(c1ccc(-c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C50H35NO/c1-51(39-32-28-35(29-33-39)41-21-12-22-43-42-18-9-11-25-47(42)52-49(41)43)38-30-26-34(27-31-38)40-20-13-24-46-48(40)44-19-8-10-23-45(44)50(46,36-14-4-2-5-15-36)37-16-6-3-7-17-37/h2-33H,1H3
InChIKeyKFFPZNUNBKYHPK-UHFFFAOYSA-N
XLogP13.05
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-dibenzofuran-4-ylphenyl)-N,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769017
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenylaniline;2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 157436588
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine
CID 170676804
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
N-[4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 161068625
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
CID 169302165
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
N-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769011
3-dibenzofuran-4-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline;N-(3-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158258479
N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 157395507
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 146251247
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 146251209

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline (CID 174178797) is N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline is CN(c1ccc(-c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline?
The InChIKey is KFFPZNUNBKYHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NO/c1-51(39-32-28-35(29-33-39)41-21-12-22-43-42-18-9-11-25-47(42)52-49(41)43)38-30-26-34(27-31-38)40-20-13-24-46-48(40)44-19-8-10-23-45(44)50(46,36-14-4-2-5-15-36)37-16-6-3-7-17-37/h2-33H,1H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline?
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline has a molecular weight of 665.84 g/mol, XLogP of 13.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline is sourced from PubChem (CID 174178797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).