N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine

C31H23NO — CID 166647190

IUPACN-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3cccc4c3oc3c5ccccc5ccc43)cc21
InChIInChI=1S/C31H23NO/c1-31(2)26-12-6-5-10-22(26)23-17-15-20(18-27(23)31)32-28-13-7-11-24-25-16-14-19-8-3-4-9-21(19)29(25)33-30(24)28/h3-18,32H,1-2H3
InChIKeyINLVVDAEEIOCPT-UHFFFAOYSA-N
MW425.53 g/mol
LogP8.79
Rot. Bonds2

About N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine

N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 166647190) has the molecular formula C31H23NO and a molecular weight of 425.53 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID166647190
Molecular FormulaC31H23NO
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC NameN-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3cccc4c3oc3c5ccccc5ccc43)cc21
InChIInChI=1S/C31H23NO/c1-31(2)26-12-6-5-10-22(26)23-17-15-20(18-27(23)31)32-28-13-7-11-24-25-16-14-19-8-3-4-9-21(19)29(25)33-30(24)28/h3-18,32H,1-2H3
InChIKeyINLVVDAEEIOCPT-UHFFFAOYSA-N
XLogP8.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 58.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121842
N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022062
N-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 126559839
4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 177121544
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022367
9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58453890
N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine
CID 118027817
N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 156522410
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730668
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
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-2-amine
CID 177121851

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine (CID 166647190) is N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine is CC1(C)c2ccccc2-c2ccc(Nc3cccc4c3oc3c5ccccc5ccc43)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is INLVVDAEEIOCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO/c1-31(2)26-12-6-5-10-22(26)23-17-15-20(18-27(23)31)32-28-13-7-11-24-25-16-14-19-8-3-4-9-21(19)29(25)33-30(24)28/h3-18,32H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine?
N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 425.53 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)naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 166647190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).