2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine

C40H29N — CID 175695461

IUPAC2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc4c(c3N)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21
InChIInChI=1S/C40H29N/c1-39(2)32-18-7-3-14-26(32)28-16-11-17-29(36(28)39)31-23-22-30-27-15-6-10-21-35(27)40(37(30)38(31)41)33-19-8-4-12-24(33)25-13-5-9-20-34(25)40/h3-23H,41H2,1-2H3
InChIKeyWGIJTWWRWUTZHZ-UHFFFAOYSA-N
MW523.68 g/mol
LogP9.59
Rot. Bonds1

About 2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine

2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine (PubChem CID 175695461) has the molecular formula C40H29N and a molecular weight of 523.68 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine
PubChem CID175695461
Molecular FormulaC40H29N
Molecular Weight523.68 g/mol
Exact Mass523.23
IUPAC Name2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc4c(c3N)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21
InChIInChI=1S/C40H29N/c1-39(2)32-18-7-3-14-26(32)28-16-11-17-29(36(28)39)31-23-22-30-27-15-6-10-21-35(27)40(37(30)38(31)41)33-19-8-4-12-24(33)25-13-5-9-20-34(25)40/h3-23H,41H2,1-2H3
InChIKeyWGIJTWWRWUTZHZ-UHFFFAOYSA-N
XLogP9.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 59.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,9,9-trimethylfluoren-1-amine
CID 142604621
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
CID 171439038
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
2,9,9-trimethyl-1-(2-methylphenyl)fluorene
CID 145007121
4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene]
CID 142373827
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene
CID 58142415
1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene
CID 177127970
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
1-(4-chlorophenyl)-9,9-dimethylfluorene
CID 118193752
CID 102532137
CID 102532137

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine (CID 175695461) is 2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for 2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc4c(c3N)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21.
What is the InChIKey of 2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is WGIJTWWRWUTZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N/c1-39(2)32-18-7-3-14-26(32)28-16-11-17-29(36(28)39)31-23-22-30-27-15-6-10-21-35(27)40(37(30)38(31)41)33-19-8-4-12-24(33)25-13-5-9-20-34(25)40/h3-23H,41H2,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine?
2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 523.68 g/mol, XLogP of 9.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 175695461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).