4-[3-dibenzofuran-3-yl-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)propyl]-N,N-diphenylaniline

C61H47NO — CID 138667072

IUPAC4-[3-dibenzofuran-3-yl-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)propyl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(C(CCc4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc5c(c4)oc4ccccc45)cccc32)c2ccccc21
InChIInChI=1S/C61H47NO/c1-60(2)52-26-12-14-28-54(52)61(55-29-15-13-27-53(55)60)51-25-11-9-23-50(51)59-49(24-17-30-56(59)61)46(42-35-39-48-47-22-10-16-31-57(47)63-58(48)40-42)38-34-41-32-36-45(37-33-41)62(43-18-5-3-6-19-43)44-20-7-4-8-21-44/h3-33,35-37,39-40,46H,34,38H2,1-2H3
InChIKeyINEQVAQYQKZRAK-UHFFFAOYSA-N
MW810.05 g/mol
LogP15.82
Rot. Bonds8

About 4-[3-dibenzofuran-3-yl-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)propyl]-N,N-diphenylaniline

4-[3-dibenzofuran-3-yl-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)propyl]-N,N-diphenylaniline (PubChem CID 138667072) has the molecular formula C61H47NO and a molecular weight of 810.05 g/mol. Its IUPAC name is 4-[3-dibenzofuran-3-yl-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)propyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[3-dibenzofuran-3-yl-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)propyl]-N,N-diphenylaniline
PubChem CID138667072
Molecular FormulaC61H47NO
Molecular Weight810.05 g/mol
Exact Mass809.37
IUPAC Name4-[3-dibenzofuran-3-yl-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)propyl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(C(CCc4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc5c(c4)oc4ccccc45)cccc32)c2ccccc21
InChIInChI=1S/C61H47NO/c1-60(2)52-26-12-14-28-54(52)61(55-29-15-13-27-53(55)60)51-25-11-9-23-50(51)59-49(24-17-30-56(59)61)46(42-35-39-48-47-22-10-16-31-57(47)63-58(48)40-42)38-34-41-32-36-45(37-33-41)62(43-18-5-3-6-19-43)44-20-7-4-8-21-44/h3-33,35-37,39-40,46H,34,38H2,1-2H3
InChIKeyINEQVAQYQKZRAK-UHFFFAOYSA-N
XLogP15.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.05
LogP ≤ 515.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667387
N,N-diphenyl-4-[3-phenyl-3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]propyl]aniline
CID 137468995
N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-3-amine
CID 168771578
N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 159125994
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 129267011
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine
CID 167177585
N-dibenzofuran-3-yl-N-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]-4-amine
CID 162771468
N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163804451
3-N'-dibenzofuran-3-yl-3-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775076
5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775418
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370

Frequently Asked Questions

What is the IUPAC name of 4-[3-dibenzofuran-3-yl-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)propyl]-N,N-diphenylaniline?
The IUPAC name of 4-[3-dibenzofuran-3-yl-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)propyl]-N,N-diphenylaniline (CID 138667072) is 4-[3-dibenzofuran-3-yl-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)propyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[3-dibenzofuran-3-yl-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)propyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[3-dibenzofuran-3-yl-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)propyl]-N,N-diphenylaniline is CC1(C)c2ccccc2C2(c3ccccc3-c3c(C(CCc4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc5c(c4)oc4ccccc45)cccc32)c2ccccc21.
What is the InChIKey of 4-[3-dibenzofuran-3-yl-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)propyl]-N,N-diphenylaniline?
The InChIKey is INEQVAQYQKZRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47NO/c1-60(2)52-26-12-14-28-54(52)61(55-29-15-13-27-53(55)60)51-25-11-9-23-50(51)59-49(24-17-30-56(59)61)46(42-35-39-48-47-22-10-16-31-57(47)63-58(48)40-42)38-34-41-32-36-45(37-33-41)62(43-18-5-3-6-19-43)44-20-7-4-8-21-44/h3-33,35-37,39-40,46H,34,38H2,1-2H3.
What are the key properties of 4-[3-dibenzofuran-3-yl-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)propyl]-N,N-diphenylaniline?
4-[3-dibenzofuran-3-yl-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)propyl]-N,N-diphenylaniline has a molecular weight of 810.05 g/mol, XLogP of 15.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-dibenzofuran-3-yl-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)propyl]-N,N-diphenylaniline is sourced from PubChem (CID 138667072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).