N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline

C67H45NO — CID 158324524

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C67H45NO/c1-4-17-46(18-5-1)47-31-33-49(34-32-47)56-23-11-14-29-63(56)68(54-40-35-48(36-41-54)51-39-44-59-58-24-12-15-30-64(58)69-65(59)45-51)55-42-37-50(38-43-55)57-26-16-28-62-66(57)60-25-10-13-27-61(60)67(62,52-19-6-2-7-20-52)53-21-8-3-9-22-53/h1-45H
InChIKeyFCWYHKLSDLLYHE-UHFFFAOYSA-N
MW880.10 g/mol
LogP18.09
Rot. Bonds9

About N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline

N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline (PubChem CID 158324524) has the molecular formula C67H45NO and a molecular weight of 880.10 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
PubChem CID158324524
Molecular FormulaC67H45NO
Molecular Weight880.10 g/mol
Exact Mass879.35
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C67H45NO/c1-4-17-46(18-5-1)47-31-33-49(34-32-47)56-23-11-14-29-63(56)68(54-40-35-48(36-41-54)51-39-44-59-58-24-12-15-30-64(58)69-65(59)45-51)55-42-37-50(38-43-55)57-26-16-28-62-66(57)60-25-10-13-27-61(60)67(62,52-19-6-2-7-20-52)53-21-8-3-9-22-53/h1-45H
InChIKeyFCWYHKLSDLLYHE-UHFFFAOYSA-N
XLogP18.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.10
LogP ≤ 518.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 161457556
N-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 160917720
N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 160590087
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine
CID 166565972
N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline;N-(4-dibenzofuran-1-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline;N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 162254274
N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 163834349
N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine
CID 139352149
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 159899599
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 161297383
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
3-dibenzofuran-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 159108609
N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784270

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline (CID 158324524) is N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline?
The InChIKey is FCWYHKLSDLLYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45NO/c1-4-17-46(18-5-1)47-31-33-49(34-32-47)56-23-11-14-29-63(56)68(54-40-35-48(36-41-54)51-39-44-59-58-24-12-15-30-64(58)69-65(59)45-51)55-42-37-50(38-43-55)57-26-16-28-62-66(57)60-25-10-13-27-61(60)67(62,52-19-6-2-7-20-52)53-21-8-3-9-22-53/h1-45H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline?
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline has a molecular weight of 880.10 g/mol, XLogP of 18.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 158324524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).