N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline

C56H41NO — CID 118198686

IUPACN-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline
SMILESCc1ccc(-c2ccccc2)cc1-c1cc(-c2cccc3ccccc23)ccc1Nc1ccc(-c2cccc3c2oc2c4c(ccc23)C(C)(C)c2ccccc2-4)cc1
InChIInChI=1S/C56H41NO/c1-35-23-24-39(36-13-5-4-6-14-36)33-48(35)49-34-40(43-19-11-16-37-15-7-8-17-42(37)43)27-32-52(49)57-41-28-25-38(26-29-41)44-20-12-21-45-46-30-31-51-53(55(46)58-54(44)45)47-18-9-10-22-50(47)56(51,2)3/h4-34,57H,1-3H3
InChIKeyXMJNZZVQGAPFFC-UHFFFAOYSA-N
MW743.95 g/mol
LogP15.77
Rot. Bonds6

About N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline

N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline (PubChem CID 118198686) has the molecular formula C56H41NO and a molecular weight of 743.95 g/mol. Its IUPAC name is N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline.

Molecular Properties

Compound NameN-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline
PubChem CID118198686
Molecular FormulaC56H41NO
Molecular Weight743.95 g/mol
Exact Mass743.32
IUPAC NameN-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline
SMILESCc1ccc(-c2ccccc2)cc1-c1cc(-c2cccc3ccccc23)ccc1Nc1ccc(-c2cccc3c2oc2c4c(ccc23)C(C)(C)c2ccccc2-4)cc1
InChIInChI=1S/C56H41NO/c1-35-23-24-39(36-13-5-4-6-14-36)33-48(35)49-34-40(43-19-11-16-37-15-7-8-17-42(37)43)27-32-52(49)57-41-28-25-38(26-29-41)44-20-12-21-45-46-30-31-51-53(55(46)58-54(44)45)47-18-9-10-22-50(47)56(51,2)3/h4-34,57H,1-3H3
InChIKeyXMJNZZVQGAPFFC-UHFFFAOYSA-N
XLogP15.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.95
LogP ≤ 515.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343768
2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 134535870
3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole
CID 118099217
10-(3-dibenzofuran-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 118553057
N-(9,9-dimethylfluoren-4-yl)-6-phenyldibenzofuran-4-amine
CID 172544973
3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 154972890
9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130186143
ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 145442322
4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 177121544
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-3-amine
CID 167230911
4-(4-anilinophenyl)-2-naphthalen-1-yl-N-phenylaniline
CID 66605145
7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine
CID 118405099

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline?
The IUPAC name of N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline (CID 118198686) is N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline.
What is the SMILES notation for N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline?
The canonical SMILES for N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline is Cc1ccc(-c2ccccc2)cc1-c1cc(-c2cccc3ccccc23)ccc1Nc1ccc(-c2cccc3c2oc2c4c(ccc23)C(C)(C)c2ccccc2-4)cc1.
What is the InChIKey of N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline?
The InChIKey is XMJNZZVQGAPFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41NO/c1-35-23-24-39(36-13-5-4-6-14-36)33-48(35)49-34-40(43-19-11-16-37-15-7-8-17-42(37)43)27-32-52(49)57-41-28-25-38(26-29-41)44-20-12-21-45-46-30-31-51-53(55(46)58-54(44)45)47-18-9-10-22-50(47)56(51,2)3/h4-34,57H,1-3H3.
What are the key properties of N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline?
N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline has a molecular weight of 743.95 g/mol, XLogP of 15.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline is sourced from PubChem (CID 118198686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).