2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline

C57H49NO — CID 174293899

IUPAC2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3c(-c4ccccc4N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cccc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C57H49NO/c1-55(2,3)40-30-34-44-45-35-31-41(56(4,5)6)37-51(45)57(50(44)36-40)48-24-14-16-27-53(48)59-54-47(23-17-25-49(54)57)46-22-13-15-26-52(46)58(42-20-11-8-12-21-42)43-32-28-39(29-33-43)38-18-9-7-10-19-38/h7-37H,1-6H3
InChIKeyCMZLNIPGSLVNHH-UHFFFAOYSA-N
MW764.03 g/mol
LogP15.55
Rot. Bonds5

About 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline

2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 174293899) has the molecular formula C57H49NO and a molecular weight of 764.03 g/mol. Its IUPAC name is 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID174293899
Molecular FormulaC57H49NO
Molecular Weight764.03 g/mol
Exact Mass763.38
IUPAC Name2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3c(-c4ccccc4N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cccc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C57H49NO/c1-55(2,3)40-30-34-44-45-35-31-41(56(4,5)6)37-51(45)57(50(44)36-40)48-24-14-16-27-53(48)59-54-47(23-17-25-49(54)57)46-22-13-15-26-52(46)58(42-20-11-8-12-21-42)43-32-28-39(29-33-43)38-18-9-7-10-19-38/h7-37H,1-6H3
InChIKeyCMZLNIPGSLVNHH-UHFFFAOYSA-N
XLogP15.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.03
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 174293743
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 174281956
2,7-ditert-butyl-N-(9,9-diphenylxanthen-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282393
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153715
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 174159235
N-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 167177160
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 158045243
N-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 170142560
N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477499
N-[2-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 174294336
2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 161349725

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline (CID 174293899) is 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3c(-c4ccccc4N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cccc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is CMZLNIPGSLVNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H49NO/c1-55(2,3)40-30-34-44-45-35-31-41(56(4,5)6)37-51(45)57(50(44)36-40)48-24-14-16-27-53(48)59-54-47(23-17-25-49(54)57)46-22-13-15-26-52(46)58(42-20-11-8-12-21-42)43-32-28-39(29-33-43)38-18-9-7-10-19-38/h7-37H,1-6H3.
What are the key properties of 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 764.03 g/mol, XLogP of 15.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 174293899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).