2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

C60H53NO — CID 174279588

IUPAC2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C60H53NO/c1-57(2,3)40-24-32-55-53(34-40)60(54-35-41(58(4,5)6)25-33-56(54)62-55)50-21-15-13-19-46(50)48-31-29-44(37-52(48)60)61(42-26-22-39(23-27-42)38-16-10-9-11-17-38)43-28-30-47-45-18-12-14-20-49(45)59(7,8)51(47)36-43/h9-37H,1-8H3
InChIKeyZZIYDUOSKBEWND-UHFFFAOYSA-N
MW804.09 g/mol
LogP16.19
Rot. Bonds4

About 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 174279588) has the molecular formula C60H53NO and a molecular weight of 804.09 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID174279588
Molecular FormulaC60H53NO
Molecular Weight804.09 g/mol
Exact Mass803.41
IUPAC Name2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C60H53NO/c1-57(2,3)40-24-32-55-53(34-40)60(54-35-41(58(4,5)6)25-33-56(54)62-55)50-21-15-13-19-46(50)48-31-29-44(37-52(48)60)61(42-26-22-39(23-27-42)38-16-10-9-11-17-38)43-28-30-47-45-18-12-14-20-49(45)59(7,8)51(47)36-43/h9-37H,1-8H3
InChIKeyZZIYDUOSKBEWND-UHFFFAOYSA-N
XLogP16.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.09
LogP ≤ 516.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2',7'-ditert-butyl-N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284182
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153715
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
2',7'-ditert-butyl-N,N-bis(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284062
2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 174281956
N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 118446636
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 177124718
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476302
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
N-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 142508836
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-methylpyrimidin-5-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 156556722

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 174279588) is 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is ZZIYDUOSKBEWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H53NO/c1-57(2,3)40-24-32-55-53(34-40)60(54-35-41(58(4,5)6)25-33-56(54)62-55)50-21-15-13-19-46(50)48-31-29-44(37-52(48)60)61(42-26-22-39(23-27-42)38-16-10-9-11-17-38)43-28-30-47-45-18-12-14-20-49(45)59(7,8)51(47)36-43/h9-37H,1-8H3.
What are the key properties of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 804.09 g/mol, XLogP of 16.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 174279588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).