N-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine

C33H25NO2 — CID 126629843

IUPACN-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc5c(c4)Oc4ccccc4O5)cc3)cc21
InChIInChI=1S/C33H25NO2/c1-33(2)27-8-4-3-7-25(27)26-17-16-24(20-28(26)33)34-23-14-11-21(12-15-23)22-13-18-31-32(19-22)36-30-10-6-5-9-29(30)35-31/h3-20,34H,1-2H3
InChIKeyPAAXNOHOVURDOG-UHFFFAOYSA-N
MW467.57 g/mol
LogP9.30
Rot. Bonds3

About N-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine

N-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 126629843) has the molecular formula C33H25NO2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID126629843
Molecular FormulaC33H25NO2
Molecular Weight467.57 g/mol
Exact Mass467.19
IUPAC NameN-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc5c(c4)Oc4ccccc4O5)cc3)cc21
InChIInChI=1S/C33H25NO2/c1-33(2)27-8-4-3-7-25(27)26-17-16-24(20-28(26)33)34-23-14-11-21(12-15-23)22-13-18-31-32(19-22)36-30-10-6-5-9-29(30)35-31/h3-20,34H,1-2H3
InChIKeyPAAXNOHOVURDOG-UHFFFAOYSA-N
XLogP9.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 59.30
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
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
CID 177113997
N-[4-(4-fluorophenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 167260406
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
N-(4-phenylphenyl)-9,9-bis(trideuteriomethyl)fluoren-2-amine
CID 155619972
9,9-dimethyl-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 123399255
N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 150606722
CID 144628230
CID 144628230
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine (CID 126629843) is N-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc5c(c4)Oc4ccccc4O5)cc3)cc21.
What is the InChIKey of N-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is PAAXNOHOVURDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25NO2/c1-33(2)27-8-4-3-7-25(27)26-17-16-24(20-28(26)33)34-23-14-11-21(12-15-23)22-13-18-31-32(19-22)36-30-10-6-5-9-29(30)35-31/h3-20,34H,1-2H3.
What are the key properties of N-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine?
N-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 467.57 g/mol, XLogP of 9.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 126629843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).