N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine

C59H43NO — CID 170114783

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2cccc3c2-c2ccccc2C32CCCC2)cc1
InChIInChI=1S/C59H43NO/c1-2-19-40(20-3-1)43-23-4-5-24-45(43)46-25-6-7-26-47(46)48-27-9-12-34-54(48)60(55-35-18-33-53-57(55)51-29-8-11-32-52(51)59(53)37-14-15-38-59)42-22-16-21-41(39-42)44-30-17-31-50-49-28-10-13-36-56(49)61-58(44)50/h1-13,16-36,39H,14-15,37-38H2
InChIKeySTXMHIWCHAPBGL-UHFFFAOYSA-N
MW782.00 g/mol
LogP16.56
Rot. Bonds7

About N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine

N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine (PubChem CID 170114783) has the molecular formula C59H43NO and a molecular weight of 782.00 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine
PubChem CID170114783
Molecular FormulaC59H43NO
Molecular Weight782.00 g/mol
Exact Mass781.33
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2cccc3c2-c2ccccc2C32CCCC2)cc1
InChIInChI=1S/C59H43NO/c1-2-19-40(20-3-1)43-23-4-5-24-45(43)46-25-6-7-26-47(46)48-27-9-12-34-54(48)60(55-35-18-33-53-57(55)51-29-8-11-32-52(51)59(53)37-14-15-38-59)42-22-16-21-41(39-42)44-30-17-31-50-49-28-10-13-36-56(49)61-58(44)50/h1-13,16-36,39H,14-15,37-38H2
InChIKeySTXMHIWCHAPBGL-UHFFFAOYSA-N
XLogP16.56
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.00
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
CID 170114215
N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 170114508
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502573
N-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine
CID 169029878
N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 139568275
N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 155186822
N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168789688
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine
CID 170119125
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567835
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine
CID 170117213
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501677

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine (CID 170114783) is N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2cccc3c2-c2ccccc2C32CCCC2)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine?
The InChIKey is STXMHIWCHAPBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43NO/c1-2-19-40(20-3-1)43-23-4-5-24-45(43)46-25-6-7-26-47(46)48-27-9-12-34-54(48)60(55-35-18-33-53-57(55)51-29-8-11-32-52(51)59(53)37-14-15-38-59)42-22-16-21-41(39-42)44-30-17-31-50-49-28-10-13-36-56(49)61-58(44)50/h1-13,16-36,39H,14-15,37-38H2.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine has a molecular weight of 782.00 g/mol, XLogP of 16.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine is sourced from PubChem (CID 170114783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).