N-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine

C32H27NO — CID 144856795

IUPACN-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc4c(c3)C(C)(C)c3oc5ccccc5c3-4)cc21
InChIInChI=1S/C32H27NO/c1-31(2)25-11-7-5-9-21(25)22-15-13-19(17-26(22)31)33-20-14-16-23-27(18-20)32(3,4)30-29(23)24-10-6-8-12-28(24)34-30/h5-18,33H,1-4H3
InChIKeyGXKLZLDFFSLTKH-UHFFFAOYSA-N
MW441.57 g/mol
LogP8.79
Rot. Bonds2

About N-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine

N-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine (PubChem CID 144856795) has the molecular formula C32H27NO and a molecular weight of 441.57 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine
PubChem CID144856795
Molecular FormulaC32H27NO
Molecular Weight441.57 g/mol
Exact Mass441.21
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc4c(c3)C(C)(C)c3oc5ccccc5c3-4)cc21
InChIInChI=1S/C32H27NO/c1-31(2)25-11-7-5-9-21(25)22-15-13-19(17-26(22)31)33-20-14-16-23-27(18-20)32(3,4)30-29(23)24-10-6-8-12-28(24)34-30/h5-18,33H,1-4H3
InChIKeyGXKLZLDFFSLTKH-UHFFFAOYSA-N
XLogP8.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.57
LogP ≤ 58.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022367
9,9-dimethyl-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 123399255
N-(4-tert-butylphenyl)-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 146432361
N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 156522410
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58453890
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 129199649
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334
N-(9,9-dimethylfluoren-3-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 118360806
N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine
CID 163509163

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine (CID 144856795) is N-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccc4c(c3)C(C)(C)c3oc5ccccc5c3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine?
The InChIKey is GXKLZLDFFSLTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27NO/c1-31(2)25-11-7-5-9-21(25)22-15-13-19(17-26(22)31)33-20-14-16-23-27(18-20)32(3,4)30-29(23)24-10-6-8-12-28(24)34-30/h5-18,33H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine?
N-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine has a molecular weight of 441.57 g/mol, XLogP of 8.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 144856795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).