4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran

C61H40O — CID 166825044

IUPAC4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(CC(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c21
InChIInChI=1S/C61H40O/c1-2-17-45-39(14-1)15-11-22-46(45)40-30-34-42(35-31-40)54(43-36-32-41(33-37-43)47-23-13-25-53-51-21-6-10-29-58(51)62-60(47)53)38-44-16-12-24-52-50-20-5-9-28-57(50)61(59(44)52)55-26-7-3-18-48(55)49-19-4-8-27-56(49)61/h1-37,54H,38H2
InChIKeyREFRIHGHRVMFAK-UHFFFAOYSA-N
MW788.99 g/mol
LogP15.79
Rot. Bonds6

About 4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran

4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran (PubChem CID 166825044) has the molecular formula C61H40O and a molecular weight of 788.99 g/mol. Its IUPAC name is 4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran
PubChem CID166825044
Molecular FormulaC61H40O
Molecular Weight788.99 g/mol
Exact Mass788.31
IUPAC Name4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(CC(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c21
InChIInChI=1S/C61H40O/c1-2-17-45-39(14-1)15-11-22-46(45)40-30-34-42(35-31-40)54(43-36-32-41(33-37-43)47-23-13-25-53-51-21-6-10-29-58(51)62-60(47)53)38-44-16-12-24-52-50-20-5-9-28-57(50)61(59(44)52)55-26-7-3-18-48(55)49-19-4-8-27-56(49)61/h1-37,54H,38H2
InChIKeyREFRIHGHRVMFAK-UHFFFAOYSA-N
XLogP15.79
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 170421362
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenyl-5-(9,9'-spirobi[fluorene]-1'-yl)aniline
CID 156896758
4-[4-(1-naphthalen-1-ylpropyl)phenyl]dibenzofuran
CID 121440850
9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 130266587
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 170421476
N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170421354
1-[2-phenyl-2-(4-phenylphenyl)ethyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 145276608
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
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
2-dibenzofuran-4-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-1-yl)pyrimidine
CID 146648524
4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171602380
N-(4-naphthalen-1-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022149

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran?
The IUPAC name of 4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran (CID 166825044) is 4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran?
The canonical SMILES for 4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(CC(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c21.
What is the InChIKey of 4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran?
The InChIKey is REFRIHGHRVMFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40O/c1-2-17-45-39(14-1)15-11-22-46(45)40-30-34-42(35-31-40)54(43-36-32-41(33-37-43)47-23-13-25-53-51-21-6-10-29-58(51)62-60(47)53)38-44-16-12-24-52-50-20-5-9-28-57(50)61(59(44)52)55-26-7-3-18-48(55)49-19-4-8-27-56(49)61/h1-37,54H,38H2.
What are the key properties of 4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran?
4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran has a molecular weight of 788.99 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran is sourced from PubChem (CID 166825044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).