4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine

C63H41NO — CID 169022495

IUPAC4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
SMILESCC1(c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc3c2oc2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C63H41NO/c1-62(53-25-11-5-19-45(53)46-20-6-12-26-54(46)62)59-39-44(37-52-51-24-10-16-30-60(51)65-61(52)59)64(42-33-31-41(32-34-42)40-17-3-2-4-18-40)43-35-36-50-49-23-9-15-29-57(49)63(58(50)38-43)55-27-13-7-21-47(55)48-22-8-14-28-56(48)63/h2-39H,1H3
InChIKeyAWCNRGLTEPOFRA-UHFFFAOYSA-N
MW828.03 g/mol
LogP16.40
Rot. Bonds5

About 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine

4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine (PubChem CID 169022495) has the molecular formula C63H41NO and a molecular weight of 828.03 g/mol. Its IUPAC name is 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine.

Molecular Properties

Compound Name4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
PubChem CID169022495
Molecular FormulaC63H41NO
Molecular Weight828.03 g/mol
Exact Mass827.32
IUPAC Name4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
SMILESCC1(c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc3c2oc2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C63H41NO/c1-62(53-25-11-5-19-45(53)46-20-6-12-26-54(46)62)59-39-44(37-52-51-24-10-16-30-60(51)65-61(52)59)64(42-33-31-41(32-34-42)40-17-3-2-4-18-40)43-35-36-50-49-23-9-15-29-57(49)63(58(50)38-43)55-27-13-7-21-47(55)48-22-8-14-28-56(48)63/h2-39H,1H3
InChIKeyAWCNRGLTEPOFRA-UHFFFAOYSA-N
XLogP16.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.03
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 169021993
4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 169022196
N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 169022095
N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 169022228
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine
CID 169022127
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-(3,5-diphenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 168771577
N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167484367
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-2-amine
CID 129087109
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 169022159
N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 169022042
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)fluoren-2-amine;methane;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)dibenzofuran-4-amine
CID 162207264

Frequently Asked Questions

What is the IUPAC name of 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine?
The IUPAC name of 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine (CID 169022495) is 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine.
What is the SMILES notation for 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine?
The canonical SMILES for 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine is CC1(c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc3c2oc2ccccc23)c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine?
The InChIKey is AWCNRGLTEPOFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41NO/c1-62(53-25-11-5-19-45(53)46-20-6-12-26-54(46)62)59-39-44(37-52-51-24-10-16-30-60(51)65-61(52)59)64(42-33-31-41(32-34-42)40-17-3-2-4-18-40)43-35-36-50-49-23-9-15-29-57(49)63(58(50)38-43)55-27-13-7-21-47(55)48-22-8-14-28-56(48)63/h2-39H,1H3.
What are the key properties of 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine?
4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine has a molecular weight of 828.03 g/mol, XLogP of 16.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 169022495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).