9,9-dimethyl-N-phenylxanthen-3-amine

C21H19NO — CID 156524764

IUPAC9,9-dimethyl-N-phenylxanthen-3-amine
SMILESCC1(C)c2ccccc2Oc2cc(Nc3ccccc3)ccc21
InChIInChI=1S/C21H19NO/c1-21(2)17-10-6-7-11-19(17)23-20-14-16(12-13-18(20)21)22-15-8-4-3-5-9-15/h3-14,22H,1-2H3
InChIKeyXHVFGUAVXATBDB-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.86
Rot. Bonds2

About 9,9-dimethyl-N-phenylxanthen-3-amine

9,9-dimethyl-N-phenylxanthen-3-amine (PubChem CID 156524764) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenylxanthen-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenylxanthen-3-amine
PubChem CID156524764
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name9,9-dimethyl-N-phenylxanthen-3-amine
SMILESCC1(C)c2ccccc2Oc2cc(Nc3ccccc3)ccc21
InChIInChI=1S/C21H19NO/c1-21(2)17-10-6-7-11-19(17)23-20-14-16(12-13-18(20)21)22-15-8-4-3-5-9-15/h3-14,22H,1-2H3
InChIKeyXHVFGUAVXATBDB-UHFFFAOYSA-N
XLogP5.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine
CID 168806172
N,9,9-triphenylxanthen-2-amine
CID 169292905
9,9-dimethylxanthene;phenylphosphane
CID 155388268
N-phenylbenzo[c][5,1,2]benzoxadiazepin-2-amine
CID 21438867
N-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 126629843
10-(2,2,13,13,21,21-hexamethyl-6,28-dioxaheptacyclo[17.12.0.03,16.05,14.07,12.020,29.022,27]hentriaconta-1(31),3,5(14),7,9,11,15,17,19,22,24,26,29-tridecaen-30-yl)-9,9-dimethyl-N-phenylacridin-2-amine
CID 142304459
9,9-dimethylxanthene;triphenylphosphane
CID 175584517
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
3-(3-bromo-5-phenylphenyl)-9,9-dimethylxanthene
CID 166679254
3-(2,2-dimethylpropyl)-9,9-dimethylxanthene
CID 146666376
N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 150606722
2-bromo-9,9-dimethyl-3-phenylxanthene
CID 164575078

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenylxanthen-3-amine?
The IUPAC name of 9,9-dimethyl-N-phenylxanthen-3-amine (CID 156524764) is 9,9-dimethyl-N-phenylxanthen-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenylxanthen-3-amine?
The canonical SMILES for 9,9-dimethyl-N-phenylxanthen-3-amine is CC1(C)c2ccccc2Oc2cc(Nc3ccccc3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-phenylxanthen-3-amine?
The InChIKey is XHVFGUAVXATBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-21(2)17-10-6-7-11-19(17)23-20-14-16(12-13-18(20)21)22-15-8-4-3-5-9-15/h3-14,22H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenylxanthen-3-amine?
9,9-dimethyl-N-phenylxanthen-3-amine has a molecular weight of 301.39 g/mol, XLogP of 5.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenylxanthen-3-amine is sourced from PubChem (CID 156524764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).