2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine

C40H29NO — CID 155714935

IUPAC2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5c(N)cccc53)c3ccccc3-4)cc21
InChIInChI=1S/C40H29NO/c1-39(2)30-12-5-3-10-26(30)28-20-18-24(22-34(28)39)25-19-21-29-27-11-4-6-13-31(27)40(35(29)23-25)32-14-7-8-17-37(32)42-38-33(40)15-9-16-36(38)41/h3-23H,41H2,1-2H3
InChIKeyYYSAGRZNVRDDMY-UHFFFAOYSA-N
MW539.68 g/mol
LogP9.71
Rot. Bonds1

About 2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine

2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine (PubChem CID 155714935) has the molecular formula C40H29NO and a molecular weight of 539.68 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine
PubChem CID155714935
Molecular FormulaC40H29NO
Molecular Weight539.68 g/mol
Exact Mass539.22
IUPAC Name2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5c(N)cccc53)c3ccccc3-4)cc21
InChIInChI=1S/C40H29NO/c1-39(2)30-12-5-3-10-26(30)28-20-18-24(22-34(28)39)25-19-21-29-27-11-4-6-13-31(27)40(35(29)23-25)32-14-7-8-17-37(32)42-38-33(40)15-9-16-36(38)41/h3-23H,41H2,1-2H3
InChIKeyYYSAGRZNVRDDMY-UHFFFAOYSA-N
XLogP9.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 59.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476302
3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 156902667
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
CID 130264596
4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene
CID 170018659
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476546
5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033168
CID 140720702
CID 140720702
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine
CID 167177926
9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene
CID 170017622
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 140947408
2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
CID 170018311
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 174274910

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine (CID 155714935) is 2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5c(N)cccc53)c3ccccc3-4)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine?
The InChIKey is YYSAGRZNVRDDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29NO/c1-39(2)30-12-5-3-10-26(30)28-20-18-24(22-34(28)39)25-19-21-29-27-11-4-6-13-31(27)40(35(29)23-25)32-14-7-8-17-37(32)42-38-33(40)15-9-16-36(38)41/h3-23H,41H2,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine?
2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine has a molecular weight of 539.68 g/mol, XLogP of 9.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine is sourced from PubChem (CID 155714935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).