9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-(2-phenylmethoxycyclopentyl)-9H-acridine

C35H37NO5 — CID 4961387

IUPAC9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-(2-phenylmethoxycyclopentyl)-9H-acridine
SMILESCOc1cccc(OC)c1C1c2c(OC)cccc2N(C2CCCC2OCc2ccccc2)c2cccc(OC)c21
InChIInChI=1S/C35H37NO5/c1-37-28-18-9-15-25-32(28)35(34-30(39-3)20-11-21-31(34)40-4)33-26(16-10-19-29(33)38-2)36(25)24-14-8-17-27(24)41-22-23-12-6-5-7-13-23/h5-7,9-13,15-16,18-21,24,27,35H,8,14,17,22H2,1-4H3
InChIKeyQJIOLKDWKFOQFJ-UHFFFAOYSA-N
MW551.68 g/mol
LogP7.49
Rot. Bonds9

About 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-(2-phenylmethoxycyclopentyl)-9H-acridine

9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-(2-phenylmethoxycyclopentyl)-9H-acridine (PubChem CID 4961387) has the molecular formula C35H37NO5 and a molecular weight of 551.68 g/mol. Its IUPAC name is 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-(2-phenylmethoxycyclopentyl)-9H-acridine.

Molecular Properties

Compound Name9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-(2-phenylmethoxycyclopentyl)-9H-acridine
PubChem CID4961387
Molecular FormulaC35H37NO5
Molecular Weight551.68 g/mol
Exact Mass551.27
IUPAC Name9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-(2-phenylmethoxycyclopentyl)-9H-acridine
SMILESCOc1cccc(OC)c1C1c2c(OC)cccc2N(C2CCCC2OCc2ccccc2)c2cccc(OC)c21
InChIInChI=1S/C35H37NO5/c1-37-28-18-9-15-25-32(28)35(34-30(39-3)20-11-21-31(34)40-4)33-26(16-10-19-29(33)38-2)36(25)24-14-8-17-27(24)41-22-23-12-6-5-7-13-23/h5-7,9-13,15-16,18-21,24,27,35H,8,14,17,22H2,1-4H3
InChIKeyQJIOLKDWKFOQFJ-UHFFFAOYSA-N
XLogP7.49
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.68
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-(2-phenylmethoxycyclopentyl)-9H-acridine?
The IUPAC name of 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-(2-phenylmethoxycyclopentyl)-9H-acridine (CID 4961387) is 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-(2-phenylmethoxycyclopentyl)-9H-acridine.
What is the SMILES notation for 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-(2-phenylmethoxycyclopentyl)-9H-acridine?
The canonical SMILES for 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-(2-phenylmethoxycyclopentyl)-9H-acridine is COc1cccc(OC)c1C1c2c(OC)cccc2N(C2CCCC2OCc2ccccc2)c2cccc(OC)c21.
What is the InChIKey of 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-(2-phenylmethoxycyclopentyl)-9H-acridine?
The InChIKey is QJIOLKDWKFOQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37NO5/c1-37-28-18-9-15-25-32(28)35(34-30(39-3)20-11-21-31(34)40-4)33-26(16-10-19-29(33)38-2)36(25)24-14-8-17-27(24)41-22-23-12-6-5-7-13-23/h5-7,9-13,15-16,18-21,24,27,35H,8,14,17,22H2,1-4H3.
What are the key properties of 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-(2-phenylmethoxycyclopentyl)-9H-acridine?
9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-(2-phenylmethoxycyclopentyl)-9H-acridine has a molecular weight of 551.68 g/mol, XLogP of 7.49, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dimethoxyphenyl)-1,8-dimethoxy-10-(2-phenylmethoxycyclopentyl)-9H-acridine is sourced from PubChem (CID 4961387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).