N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C56H39NO — CID 169021993

IUPACN-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc3c2oc2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C56H39NO/c1-56(51-21-11-8-18-47(51)48-19-9-12-22-52(48)56)53-37-43(36-50-49-20-10-13-23-54(49)58-55(50)53)42-28-34-46(35-29-42)57(44-30-24-40(25-31-44)38-14-4-2-5-15-38)45-32-26-41(27-33-45)39-16-6-3-7-17-39/h2-37H,1H3
InChIKeyZHKCMGBNBJTNRI-UHFFFAOYSA-N
MW741.93 g/mol
LogP15.39
Rot. Bonds7

About N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 169021993) has the molecular formula C56H39NO and a molecular weight of 741.93 g/mol. Its IUPAC name is N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID169021993
Molecular FormulaC56H39NO
Molecular Weight741.93 g/mol
Exact Mass741.30
IUPAC NameN-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc3c2oc2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C56H39NO/c1-56(51-21-11-8-18-47(51)48-19-9-12-22-52(48)56)53-37-43(36-50-49-20-10-13-23-54(49)58-55(50)53)42-28-34-46(35-29-42)57(44-30-24-40(25-31-44)38-14-4-2-5-15-38)45-32-26-41(27-33-45)39-16-6-3-7-17-39/h2-37H,1H3
InChIKeyZHKCMGBNBJTNRI-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.93
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 169022495
4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 169022196
N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 140919467
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-N,4-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 162204343
N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169021944
N-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169022239
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline
CID 140919277
N-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine
CID 169022132
9,9-dimethyl-N,7-diphenyl-N-[4-[4-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]fluoren-2-amine
CID 67964222
N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 140919105
6-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 169022414
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 169022159

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 169021993) is N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CC1(c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc3c2oc2ccccc23)c2ccccc2-c2ccccc21.
What is the InChIKey of N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is ZHKCMGBNBJTNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NO/c1-56(51-21-11-8-18-47(51)48-19-9-12-22-52(48)56)53-37-43(36-50-49-20-10-13-23-54(49)58-55(50)53)42-28-34-46(35-29-42)57(44-30-24-40(25-31-44)38-14-4-2-5-15-38)45-32-26-41(27-33-45)39-16-6-3-7-17-39/h2-37H,1H3.
What are the key properties of N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 741.93 g/mol, XLogP of 15.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 169021993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).