N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine

C59H41NO — CID 169285507

IUPACN-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2c1cc(N(c1ccc(-c3cccc4c3oc3ccccc34)cc1)c1ccc(-c3cccc4cccc(-c5ccccc5)c34)cc1)c1ccccc21
InChIInChI=1S/C59H41NO/c1-59(2)52-27-10-8-22-51(52)57-49-21-7-6-19-47(49)54(37-53(57)59)60(43-35-31-40(32-36-43)46-25-14-26-50-48-20-9-11-28-55(48)61-58(46)50)42-33-29-39(30-34-42)45-24-13-18-41-17-12-23-44(56(41)45)38-15-4-3-5-16-38/h3-37H,1-2H3
InChIKeyXUAOXBJVFMGKFM-UHFFFAOYSA-N
MW779.98 g/mol
LogP16.67
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine

N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine (PubChem CID 169285507) has the molecular formula C59H41NO and a molecular weight of 779.98 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine
PubChem CID169285507
Molecular FormulaC59H41NO
Molecular Weight779.98 g/mol
Exact Mass779.32
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2c1cc(N(c1ccc(-c3cccc4c3oc3ccccc34)cc1)c1ccc(-c3cccc4cccc(-c5ccccc5)c34)cc1)c1ccccc21
InChIInChI=1S/C59H41NO/c1-59(2)52-27-10-8-22-51(52)57-49-21-7-6-19-47(49)54(37-53(57)59)60(43-35-31-40(32-36-43)46-25-14-26-50-48-20-9-11-28-55(48)61-58(46)50)42-33-29-39(30-34-42)45-24-13-18-41-17-12-23-44(56(41)45)38-15-4-3-5-16-38/h3-37H,1-2H3
InChIKeyXUAOXBJVFMGKFM-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.98
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine
CID 169285163
N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 140862629
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567835
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)fluoren-2-amine
CID 118369468
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142480974
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
CID 88534204
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine
CID 164929447
N-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine
CID 139499277
N,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 169284394
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]fluoren-2-amine
CID 169280347
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168789334
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine (CID 169285507) is N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine is CC1(C)c2ccccc2-c2c1cc(N(c1ccc(-c3cccc4c3oc3ccccc34)cc1)c1ccc(-c3cccc4cccc(-c5ccccc5)c34)cc1)c1ccccc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine?
The InChIKey is XUAOXBJVFMGKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41NO/c1-59(2)52-27-10-8-22-51(52)57-49-21-7-6-19-47(49)54(37-53(57)59)60(43-35-31-40(32-36-43)46-25-14-26-50-48-20-9-11-28-55(48)61-58(46)50)42-33-29-39(30-34-42)45-24-13-18-41-17-12-23-44(56(41)45)38-15-4-3-5-16-38/h3-37H,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine?
N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine has a molecular weight of 779.98 g/mol, XLogP of 16.67, 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)-7,7-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine is sourced from PubChem (CID 169285507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).