N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine

C59H47NO — CID 168802375

IUPACN-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccc5ccccc5c4-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C59H47NO/c1-58(2,3)44-28-22-40(23-29-44)38-18-20-39(21-19-38)41-24-30-45(31-25-41)60(46-32-33-53-50(37-46)48-14-8-10-16-52(48)59(53,4)5)54-34-26-42-12-6-7-13-47(42)57(54)43-27-35-56-51(36-43)49-15-9-11-17-55(49)61-56/h6-37H,1-5H3
InChIKeyXDKCDSMDTBMRDK-UHFFFAOYSA-N
MW786.03 g/mol
LogP16.81
Rot. Bonds6

About N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine

N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine (PubChem CID 168802375) has the molecular formula C59H47NO and a molecular weight of 786.03 g/mol. Its IUPAC name is N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
PubChem CID168802375
Molecular FormulaC59H47NO
Molecular Weight786.03 g/mol
Exact Mass785.37
IUPAC NameN-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccc5ccccc5c4-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C59H47NO/c1-58(2,3)44-28-22-40(23-29-44)38-18-20-39(21-19-38)41-24-30-45(31-25-41)60(46-32-33-53-50(37-46)48-14-8-10-16-52(48)59(53,4)5)54-34-26-42-12-6-7-13-47(42)57(54)43-27-35-56-51(36-43)49-15-9-11-17-55(49)61-56/h6-37H,1-5H3
InChIKeyXDKCDSMDTBMRDK-UHFFFAOYSA-N
XLogP16.81
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.03
LogP ≤ 516.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine
CID 168802092
N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802106
N-(4-dibenzofuran-2-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine
CID 164774715
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168801947
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 168801937
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine
CID 168801779
N-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine
CID 168802493
N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
CID 168802156
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168802263
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168802268
N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
CID 168802152
N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine
CID 177281265

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine (CID 168802375) is N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine is CC(C)(C)c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccc5ccccc5c4-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
The InChIKey is XDKCDSMDTBMRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47NO/c1-58(2,3)44-28-22-40(23-29-44)38-18-20-39(21-19-38)41-24-30-45(31-25-41)60(46-32-33-53-50(37-46)48-14-8-10-16-52(48)59(53,4)5)54-34-26-42-12-6-7-13-47(42)57(54)43-27-35-56-51(36-43)49-15-9-11-17-55(49)61-56/h6-37H,1-5H3.
What are the key properties of N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine has a molecular weight of 786.03 g/mol, XLogP of 16.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 168802375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).