9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine

C27H23NO2 — CID 11406722

IUPAC9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine
SMILESCOc1ccc(C2(OC)c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C27H23NO2/c1-29-22-18-16-20(17-19-22)27(30-2)23-12-6-8-14-25(23)28(21-10-4-3-5-11-21)26-15-9-7-13-24(26)27/h3-19H,1-2H3
InChIKeyBUMMHLAHDPVBTO-UHFFFAOYSA-N
MW393.49 g/mol
LogP6.42
Rot. Bonds4

About 9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine

9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine (PubChem CID 11406722) has the molecular formula C27H23NO2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine.

Molecular Properties

Compound Name9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine
PubChem CID11406722
Molecular FormulaC27H23NO2
Molecular Weight393.49 g/mol
Exact Mass393.17
IUPAC Name9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine
SMILESCOc1ccc(C2(OC)c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C27H23NO2/c1-29-22-18-16-20(17-19-22)27(30-2)23-12-6-8-14-25(23)28(21-10-4-3-5-11-21)26-15-9-7-13-24(26)27/h3-19H,1-2H3
InChIKeyBUMMHLAHDPVBTO-UHFFFAOYSA-N
XLogP6.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine?
The IUPAC name of 9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine (CID 11406722) is 9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine.
What is the SMILES notation for 9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine?
The canonical SMILES for 9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine is COc1ccc(C2(OC)c3ccccc3N(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine?
The InChIKey is BUMMHLAHDPVBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO2/c1-29-22-18-16-20(17-19-22)27(30-2)23-12-6-8-14-25(23)28(21-10-4-3-5-11-21)26-15-9-7-13-24(26)27/h3-19H,1-2H3.
What are the key properties of 9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine?
9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine has a molecular weight of 393.49 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine is sourced from PubChem (CID 11406722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).