N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine

C40H29N — CID 90294631

IUPACN-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C40H29N/c1-39(2)31-16-7-3-12-26(31)29-23-22-25(24-36(29)39)41-37-21-11-20-35-38(37)30-15-6-10-19-34(30)40(35)32-17-8-4-13-27(32)28-14-5-9-18-33(28)40/h3-24,41H,1-2H3
InChIKeyUHTBRXAEDDUXIM-UHFFFAOYSA-N
MW523.68 g/mol
LogP10.08
Rot. Bonds2

About N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine

N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 90294631) has the molecular formula C40H29N and a molecular weight of 523.68 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID90294631
Molecular FormulaC40H29N
Molecular Weight523.68 g/mol
Exact Mass523.23
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C40H29N/c1-39(2)31-16-7-3-12-26(31)29-23-22-25(24-36(29)39)41-37-21-11-20-35-38(37)30-15-6-10-19-34(30)40(35)32-17-8-4-13-27(32)28-14-5-9-18-33(28)40/h3-24,41H,1-2H3
InChIKeyUHTBRXAEDDUXIM-UHFFFAOYSA-N
XLogP10.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 510.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 142567693
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909
9,9-dimethyl-N-naphthalen-2-ylfluoren-4-amine
CID 118462698
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
CID 174104017
CID 174104017
5,5-dimethyl-N-(9,9'-spirobi[fluorene]-4-yl)benzo[b][1]benzosilol-2-amine
CID 153319770
2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine
CID 71080481
N-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 146333010
N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022062
N-(4-tert-butylphenyl)naphthalen-1-amine;9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 157367101
9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine
CID 146332882
4-[(9,9-dimethylfluoren-4-yl)amino]benzonitrile
CID 122666287

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine (CID 90294631) is N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine is CC1(C)c2ccccc2-c2ccc(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is UHTBRXAEDDUXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N/c1-39(2)31-16-7-3-12-26(31)29-23-22-25(24-36(29)39)41-37-21-11-20-35-38(37)30-15-6-10-19-34(30)40(35)32-17-8-4-13-27(32)28-14-5-9-18-33(28)40/h3-24,41H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 523.68 g/mol, XLogP of 10.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 90294631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).