N-(9,9-dimethylfluoren-2-yl)-7-phenyl-2,3-dihydro-1,4-benzodioxin-6-amine

C29H25NO2 — CID 170366013

IUPACN-(9,9-dimethylfluoren-2-yl)-7-phenyl-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3cc4c(cc3-c3ccccc3)OCCO4)cc21
InChIInChI=1S/C29H25NO2/c1-29(2)24-11-7-6-10-21(24)22-13-12-20(16-25(22)29)30-26-18-28-27(31-14-15-32-28)17-23(26)19-8-4-3-5-9-19/h3-13,16-18,30H,14-15H2,1-2H3
InChIKeyAEEAAWMIGBNIKX-UHFFFAOYSA-N
MW419.52 g/mol
LogP7.17
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-7-phenyl-2,3-dihydro-1,4-benzodioxin-6-amine

N-(9,9-dimethylfluoren-2-yl)-7-phenyl-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 170366013) has the molecular formula C29H25NO2 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7-phenyl-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7-phenyl-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID170366013
Molecular FormulaC29H25NO2
Molecular Weight419.52 g/mol
Exact Mass419.19
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7-phenyl-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3cc4c(cc3-c3ccccc3)OCCO4)cc21
InChIInChI=1S/C29H25NO2/c1-29(2)24-11-7-6-10-21(24)22-13-12-20(16-25(22)29)30-26-18-28-27(31-14-15-32-28)17-23(26)19-8-4-3-5-9-19/h3-13,16-18,30H,14-15H2,1-2H3
InChIKeyAEEAAWMIGBNIKX-UHFFFAOYSA-N
XLogP7.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
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-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
N-[2-(4-cyclopentylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 177124729
N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 168764863
2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine
CID 71080481
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 164774415
N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine
CID 154949770
N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 164550755
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909
N-[2-(2-cyclobutylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 177124830

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-phenyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-phenyl-2,3-dihydro-1,4-benzodioxin-6-amine (CID 170366013) is N-(9,9-dimethylfluoren-2-yl)-7-phenyl-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7-phenyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7-phenyl-2,3-dihydro-1,4-benzodioxin-6-amine is CC1(C)c2ccccc2-c2ccc(Nc3cc4c(cc3-c3ccccc3)OCCO4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7-phenyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is AEEAAWMIGBNIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO2/c1-29(2)24-11-7-6-10-21(24)22-13-12-20(16-25(22)29)30-26-18-28-27(31-14-15-32-28)17-23(26)19-8-4-3-5-9-19/h3-13,16-18,30H,14-15H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7-phenyl-2,3-dihydro-1,4-benzodioxin-6-amine?
N-(9,9-dimethylfluoren-2-yl)-7-phenyl-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 419.52 g/mol, XLogP of 7.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-7-phenyl-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 170366013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).