N-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine

C61H42N2O — CID 155297026

IUPACN-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine
SMILESC1=CC(N(c2ccccc2-c2cccc(-c3ccccc3)c2)c2cccc3c2oc2ccccc23)CC2=C1c1ccccc1C21c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C61H42N2O/c1-3-19-41(20-4-1)42-21-17-22-43(39-42)46-25-8-13-32-55(46)63(58-35-18-28-50-49-27-9-16-36-59(49)64-60(50)58)45-37-38-48-47-26-7-10-29-51(47)61(54(48)40-45)52-30-11-14-33-56(52)62(44-23-5-2-6-24-44)57-34-15-12-31-53(57)61/h1-39,45H,40H2
InChIKeyVRTVWCOOHQKVSV-UHFFFAOYSA-N
MW819.02 g/mol
LogP15.97
Rot. Bonds6

About N-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine

N-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine (PubChem CID 155297026) has the molecular formula C61H42N2O and a molecular weight of 819.02 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine
PubChem CID155297026
Molecular FormulaC61H42N2O
Molecular Weight819.02 g/mol
Exact Mass818.33
IUPAC NameN-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine
SMILESC1=CC(N(c2ccccc2-c2cccc(-c3ccccc3)c2)c2cccc3c2oc2ccccc23)CC2=C1c1ccccc1C21c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C61H42N2O/c1-3-19-41(20-4-1)42-21-17-22-43(39-42)46-25-8-13-32-55(46)63(58-35-18-28-50-49-27-9-16-36-59(49)64-60(50)58)45-37-38-48-47-26-7-10-29-51(47)61(54(48)40-45)52-30-11-14-33-56(52)62(44-23-5-2-6-24-44)57-34-15-12-31-53(57)61/h1-39,45H,40H2
InChIKeyVRTVWCOOHQKVSV-UHFFFAOYSA-N
XLogP15.97
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166740
CID 155428359
CID 155428359
N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166787
N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166630
N-(3-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166750
N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 122675407
N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166676
N-(2-dibenzofuran-2-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166826
N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-6,9-diphenyl-3,4-dihydrocarbazol-3-amine
CID 163783323
N-dibenzofuran-2-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240558
N-[4-[9-[4-(N-dibenzofuran-4-ylanilino)phenyl]-10-phenylacridin-9-yl]phenyl]-N-phenyldibenzofuran-4-amine;4-(9,10-diphenylacridin-9-yl)-N-[4-(9,10-diphenylacridin-9-yl)phenyl]-N-phenylaniline
CID 161331273
N-[2-[2-(4,4a,5,6-tetrahydronaphthalen-1-yl)phenyl]phenyl]-N-(4-dibenzofuran-2-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 155640044

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine?
The IUPAC name of N-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine (CID 155297026) is N-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine?
The canonical SMILES for N-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine is C1=CC(N(c2ccccc2-c2cccc(-c3ccccc3)c2)c2cccc3c2oc2ccccc23)CC2=C1c1ccccc1C21c2ccccc2N(c2ccccc2)c2ccccc21.
What is the InChIKey of N-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine?
The InChIKey is VRTVWCOOHQKVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2O/c1-3-19-41(20-4-1)42-21-17-22-43(39-42)46-25-8-13-32-55(46)63(58-35-18-28-50-49-27-9-16-36-59(49)64-60(50)58)45-37-38-48-47-26-7-10-29-51(47)61(54(48)40-45)52-30-11-14-33-56(52)62(44-23-5-2-6-24-44)57-34-15-12-31-53(57)61/h1-39,45H,40H2.
What are the key properties of N-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine?
N-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine has a molecular weight of 819.02 g/mol, XLogP of 15.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine is sourced from PubChem (CID 155297026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).