4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine

C54H37NO — CID 169022196

IUPAC4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESCC1(c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc3c2oc2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C54H37NO/c1-54(49-23-10-7-19-45(49)46-20-8-11-24-50(46)54)51-35-42(34-48-47-21-9-12-25-52(47)56-53(48)51)55(40-30-26-37(27-31-40)36-14-3-2-4-15-36)41-32-28-39(29-33-41)44-22-13-17-38-16-5-6-18-43(38)44/h2-35H,1H3
InChIKeyIAPSAHQTDYBYNT-UHFFFAOYSA-N
MW715.90 g/mol
LogP14.88
Rot. Bonds6

About 4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine

4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 169022196) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is 4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID169022196
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC Name4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESCC1(c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc3c2oc2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C54H37NO/c1-54(49-23-10-7-19-45(49)46-20-8-11-24-50(46)54)51-35-42(34-48-47-21-9-12-25-52(47)56-53(48)51)55(40-30-26-37(27-31-40)36-14-3-2-4-15-36)41-32-28-39(29-33-41)44-22-13-17-38-16-5-6-18-43(38)44/h2-35H,1H3
InChIKeyIAPSAHQTDYBYNT-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 169022414
4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 169022495
N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 169021993
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161386927
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
CID 67964256
N-[4-[6-(9-methylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzofuran-2-amine
CID 169022132
3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393698
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168840185
N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 122593353
N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169021944
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017

Frequently Asked Questions

What is the IUPAC name of 4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 169022196) is 4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is CC1(c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc3c2oc2ccccc23)c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is IAPSAHQTDYBYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-54(49-23-10-7-19-45(49)46-20-8-11-24-50(46)54)51-35-42(34-48-47-21-9-12-25-52(47)56-53(48)51)55(40-30-26-37(27-31-40)36-14-3-2-4-15-36)41-32-28-39(29-33-41)44-22-13-17-38-16-5-6-18-43(38)44/h2-35H,1H3.
What are the key properties of 4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 715.90 g/mol, XLogP of 14.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 169022196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).