10-(4-tert-butylphenyl)-9-[[10-(4-tert-butylphenyl)-1,8-dimethoxyacridin-9-ylidene]methylidene]-1,8-dimethoxyacridine

C51H50N2O4 — CID 102044220

IUPAC10-(4-tert-butylphenyl)-9-[[10-(4-tert-butylphenyl)-1,8-dimethoxyacridin-9-ylidene]methylidene]-1,8-dimethoxyacridine
SMILESCOc1cccc2c1C(=C=C1c3c(OC)cccc3N(c3ccc(C(C)(C)C)cc3)c3cccc(OC)c31)c1c(OC)cccc1N2c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C51H50N2O4/c1-50(2,3)32-23-27-34(28-24-32)52-38-15-11-19-42(54-7)46(38)36(47-39(52)16-12-20-43(47)55-8)31-37-48-40(17-13-21-44(48)56-9)53(41-18-14-22-45(57-10)49(37)41)35-29-25-33(26-30-35)51(4,5)6/h11-30H,1-10H3
InChIKeyRXDPCNMGYGULJJ-UHFFFAOYSA-N
MW754.97 g/mol
LogP13.04
Rot. Bonds6

About 10-(4-tert-butylphenyl)-9-[[10-(4-tert-butylphenyl)-1,8-dimethoxyacridin-9-ylidene]methylidene]-1,8-dimethoxyacridine

10-(4-tert-butylphenyl)-9-[[10-(4-tert-butylphenyl)-1,8-dimethoxyacridin-9-ylidene]methylidene]-1,8-dimethoxyacridine (PubChem CID 102044220) has the molecular formula C51H50N2O4 and a molecular weight of 754.97 g/mol. Its IUPAC name is 10-(4-tert-butylphenyl)-9-[[10-(4-tert-butylphenyl)-1,8-dimethoxyacridin-9-ylidene]methylidene]-1,8-dimethoxyacridine.

Molecular Properties

Compound Name10-(4-tert-butylphenyl)-9-[[10-(4-tert-butylphenyl)-1,8-dimethoxyacridin-9-ylidene]methylidene]-1,8-dimethoxyacridine
PubChem CID102044220
Molecular FormulaC51H50N2O4
Molecular Weight754.97 g/mol
Exact Mass754.38
IUPAC Name10-(4-tert-butylphenyl)-9-[[10-(4-tert-butylphenyl)-1,8-dimethoxyacridin-9-ylidene]methylidene]-1,8-dimethoxyacridine
SMILESCOc1cccc2c1C(=C=C1c3c(OC)cccc3N(c3ccc(C(C)(C)C)cc3)c3cccc(OC)c31)c1c(OC)cccc1N2c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C51H50N2O4/c1-50(2,3)32-23-27-34(28-24-32)52-38-15-11-19-42(54-7)46(38)36(47-39(52)16-12-20-43(47)55-8)31-37-48-40(17-13-21-44(48)56-9)53(41-18-14-22-45(57-10)49(37)41)35-29-25-33(26-30-35)51(4,5)6/h11-30H,1-10H3
InChIKeyRXDPCNMGYGULJJ-UHFFFAOYSA-N
XLogP13.04
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.97
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butylphenyl)-9-[[10-(4-tert-butylphenyl)-1,8-dimethoxyacridin-9-ylidene]methylidene]-1,8-dimethoxyacridine?
The IUPAC name of 10-(4-tert-butylphenyl)-9-[[10-(4-tert-butylphenyl)-1,8-dimethoxyacridin-9-ylidene]methylidene]-1,8-dimethoxyacridine (CID 102044220) is 10-(4-tert-butylphenyl)-9-[[10-(4-tert-butylphenyl)-1,8-dimethoxyacridin-9-ylidene]methylidene]-1,8-dimethoxyacridine.
What is the SMILES notation for 10-(4-tert-butylphenyl)-9-[[10-(4-tert-butylphenyl)-1,8-dimethoxyacridin-9-ylidene]methylidene]-1,8-dimethoxyacridine?
The canonical SMILES for 10-(4-tert-butylphenyl)-9-[[10-(4-tert-butylphenyl)-1,8-dimethoxyacridin-9-ylidene]methylidene]-1,8-dimethoxyacridine is COc1cccc2c1C(=C=C1c3c(OC)cccc3N(c3ccc(C(C)(C)C)cc3)c3cccc(OC)c31)c1c(OC)cccc1N2c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 10-(4-tert-butylphenyl)-9-[[10-(4-tert-butylphenyl)-1,8-dimethoxyacridin-9-ylidene]methylidene]-1,8-dimethoxyacridine?
The InChIKey is RXDPCNMGYGULJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H50N2O4/c1-50(2,3)32-23-27-34(28-24-32)52-38-15-11-19-42(54-7)46(38)36(47-39(52)16-12-20-43(47)55-8)31-37-48-40(17-13-21-44(48)56-9)53(41-18-14-22-45(57-10)49(37)41)35-29-25-33(26-30-35)51(4,5)6/h11-30H,1-10H3.
What are the key properties of 10-(4-tert-butylphenyl)-9-[[10-(4-tert-butylphenyl)-1,8-dimethoxyacridin-9-ylidene]methylidene]-1,8-dimethoxyacridine?
10-(4-tert-butylphenyl)-9-[[10-(4-tert-butylphenyl)-1,8-dimethoxyacridin-9-ylidene]methylidene]-1,8-dimethoxyacridine has a molecular weight of 754.97 g/mol, XLogP of 13.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-tert-butylphenyl)-9-[[10-(4-tert-butylphenyl)-1,8-dimethoxyacridin-9-ylidene]methylidene]-1,8-dimethoxyacridine is sourced from PubChem (CID 102044220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).