7-N,10-bis(4-methoxyphenyl)-9H-acridine-2,7-diamine

C27H25N3O2 — CID 139606608

IUPAC7-N,10-bis(4-methoxyphenyl)-9H-acridine-2,7-diamine
SMILESCOc1ccc(Nc2ccc3c(c2)Cc2cc(N)ccc2N3c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H25N3O2/c1-31-24-9-4-21(5-10-24)29-22-6-14-27-19(17-22)15-18-16-20(28)3-13-26(18)30(27)23-7-11-25(32-2)12-8-23/h3-14,16-17,29H,15,28H2,1-2H3
InChIKeyWCFWMZWYDDDLNF-UHFFFAOYSA-N
MW423.52 g/mol
LogP6.40
Rot. Bonds5

About 7-N,10-bis(4-methoxyphenyl)-9H-acridine-2,7-diamine

7-N,10-bis(4-methoxyphenyl)-9H-acridine-2,7-diamine (PubChem CID 139606608) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 7-N,10-bis(4-methoxyphenyl)-9H-acridine-2,7-diamine.

Molecular Properties

Compound Name7-N,10-bis(4-methoxyphenyl)-9H-acridine-2,7-diamine
PubChem CID139606608
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name7-N,10-bis(4-methoxyphenyl)-9H-acridine-2,7-diamine
SMILESCOc1ccc(Nc2ccc3c(c2)Cc2cc(N)ccc2N3c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H25N3O2/c1-31-24-9-4-21(5-10-24)29-22-6-14-27-19(17-22)15-18-16-20(28)3-13-26(18)30(27)23-7-11-25(32-2)12-8-23/h3-14,16-17,29H,15,28H2,1-2H3
InChIKeyWCFWMZWYDDDLNF-UHFFFAOYSA-N
XLogP6.40
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-(4-methoxyphenyl)benzene-1,3-diamine
CID 22486418
4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436240
1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55130746
4-methoxyaniline;hydrobromide
CID 518270
4-(4-methoxyphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-amine
CID 89150721
N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine
CID 82537037
2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine]
CID 102495613
methyl 5-amino-2-(4-methoxyanilino)benzoate
CID 21438625
2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine
CID 117027159
4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063
ethane;4-methoxyaniline
CID 144603339

Frequently Asked Questions

What is the IUPAC name of 7-N,10-bis(4-methoxyphenyl)-9H-acridine-2,7-diamine?
The IUPAC name of 7-N,10-bis(4-methoxyphenyl)-9H-acridine-2,7-diamine (CID 139606608) is 7-N,10-bis(4-methoxyphenyl)-9H-acridine-2,7-diamine.
What is the SMILES notation for 7-N,10-bis(4-methoxyphenyl)-9H-acridine-2,7-diamine?
The canonical SMILES for 7-N,10-bis(4-methoxyphenyl)-9H-acridine-2,7-diamine is COc1ccc(Nc2ccc3c(c2)Cc2cc(N)ccc2N3c2ccc(OC)cc2)cc1.
What is the InChIKey of 7-N,10-bis(4-methoxyphenyl)-9H-acridine-2,7-diamine?
The InChIKey is WCFWMZWYDDDLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-31-24-9-4-21(5-10-24)29-22-6-14-27-19(17-22)15-18-16-20(28)3-13-26(18)30(27)23-7-11-25(32-2)12-8-23/h3-14,16-17,29H,15,28H2,1-2H3.
What are the key properties of 7-N,10-bis(4-methoxyphenyl)-9H-acridine-2,7-diamine?
7-N,10-bis(4-methoxyphenyl)-9H-acridine-2,7-diamine has a molecular weight of 423.52 g/mol, XLogP of 6.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,10-bis(4-methoxyphenyl)-9H-acridine-2,7-diamine is sourced from PubChem (CID 139606608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).