acridin-9-yl-[3,7-bis(diethylamino)phenoxazin-10-yl]methanone

C34H34N4O2 — CID 87780768

IUPACacridin-9-yl-[3,7-bis(diethylamino)phenoxazin-10-yl]methanone
SMILESCCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1N2C(=O)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C34H34N4O2/c1-5-36(6-2)23-17-19-29-31(21-23)40-32-22-24(37(7-3)8-4)18-20-30(32)38(29)34(39)33-25-13-9-11-15-27(25)35-28-16-12-10-14-26(28)33/h9-22H,5-8H2,1-4H3
InChIKeySKAWVJXJQOMYON-UHFFFAOYSA-N
MW530.67 g/mol
LogP8.16
Rot. Bonds7

About acridin-9-yl-[3,7-bis(diethylamino)phenoxazin-10-yl]methanone

acridin-9-yl-[3,7-bis(diethylamino)phenoxazin-10-yl]methanone (PubChem CID 87780768) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is acridin-9-yl-[3,7-bis(diethylamino)phenoxazin-10-yl]methanone.

Molecular Properties

Compound Nameacridin-9-yl-[3,7-bis(diethylamino)phenoxazin-10-yl]methanone
PubChem CID87780768
Molecular FormulaC34H34N4O2
Molecular Weight530.67 g/mol
Exact Mass530.27
IUPAC Nameacridin-9-yl-[3,7-bis(diethylamino)phenoxazin-10-yl]methanone
SMILESCCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1N2C(=O)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C34H34N4O2/c1-5-36(6-2)23-17-19-29-31(21-23)40-32-22-24(37(7-3)8-4)18-20-30(32)38(29)34(39)33-25-13-9-11-15-27(25)35-28-16-12-10-14-26(28)33/h9-22H,5-8H2,1-4H3
InChIKeySKAWVJXJQOMYON-UHFFFAOYSA-N
XLogP8.16
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide
CID 102485913
benzyl 3,7-bis(diethylamino)phenoxazine-10-carboxylate
CID 11259695
N,N-dipropylacridine-9-carboxamide
CID 170440983
3-[4-(diethylamino)-2-methylbenzoyl]quinoxaline-2-carboxylic acid
CID 21438891
7-(diethylamino)-3-quinazolin-4-ylchromen-2-one
CID 169224187
N,N-dimethylacridine-9-carboxamide
CID 125496081
benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone
CID 690503
1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol
CID 56971548
3-(benzimidazol-1-yl)-6-(diethylamino)chromen-2-one
CID 101369453
N,N-diethyl-10-phenylphenazin-10-ium-2-amine
CID 71330589
2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 612337
N-[4-(diethylamino)phenyl]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 3882884

Frequently Asked Questions

What is the IUPAC name of acridin-9-yl-[3,7-bis(diethylamino)phenoxazin-10-yl]methanone?
The IUPAC name of acridin-9-yl-[3,7-bis(diethylamino)phenoxazin-10-yl]methanone (CID 87780768) is acridin-9-yl-[3,7-bis(diethylamino)phenoxazin-10-yl]methanone.
What is the SMILES notation for acridin-9-yl-[3,7-bis(diethylamino)phenoxazin-10-yl]methanone?
The canonical SMILES for acridin-9-yl-[3,7-bis(diethylamino)phenoxazin-10-yl]methanone is CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1N2C(=O)c1c2ccccc2nc2ccccc12.
What is the InChIKey of acridin-9-yl-[3,7-bis(diethylamino)phenoxazin-10-yl]methanone?
The InChIKey is SKAWVJXJQOMYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O2/c1-5-36(6-2)23-17-19-29-31(21-23)40-32-22-24(37(7-3)8-4)18-20-30(32)38(29)34(39)33-25-13-9-11-15-27(25)35-28-16-12-10-14-26(28)33/h9-22H,5-8H2,1-4H3.
What are the key properties of acridin-9-yl-[3,7-bis(diethylamino)phenoxazin-10-yl]methanone?
acridin-9-yl-[3,7-bis(diethylamino)phenoxazin-10-yl]methanone has a molecular weight of 530.67 g/mol, XLogP of 8.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acridin-9-yl-[3,7-bis(diethylamino)phenoxazin-10-yl]methanone is sourced from PubChem (CID 87780768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).