2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10H-acridine

C45H41N3 — CID 118518261

IUPAC2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10H-acridine
SMILESCC1(C)c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc2Nc2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc21
InChIInChI=1S/C45H41N3/c1-43(2)31-15-7-11-19-39(31)47(40-20-12-8-16-32(40)43)29-23-25-37-35(27-29)45(5,6)36-28-30(24-26-38(36)46-37)48-41-21-13-9-17-33(41)44(3,4)34-18-10-14-22-42(34)48/h7-28,46H,1-6H3
InChIKeyNTZRLBLICCKVLK-UHFFFAOYSA-N
MW623.84 g/mol
LogP12.29
Rot. Bonds2

About 2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10H-acridine

2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10H-acridine (PubChem CID 118518261) has the molecular formula C45H41N3 and a molecular weight of 623.84 g/mol. Its IUPAC name is 2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10H-acridine.

Molecular Properties

Compound Name2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10H-acridine
PubChem CID118518261
Molecular FormulaC45H41N3
Molecular Weight623.84 g/mol
Exact Mass623.33
IUPAC Name2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10H-acridine
SMILESCC1(C)c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc2Nc2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc21
InChIInChI=1S/C45H41N3/c1-43(2)31-15-7-11-19-39(31)47(40-20-12-8-16-32(40)43)29-23-25-37-35(27-29)45(5,6)36-28-30(24-26-38(36)46-37)48-41-21-13-9-17-33(41)44(3,4)34-18-10-14-22-42(34)48/h7-28,46H,1-6H3
InChIKeyNTZRLBLICCKVLK-UHFFFAOYSA-N
XLogP12.29
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.84
LogP ≤ 512.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10H-acridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10H-acridine?
The IUPAC name of 2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10H-acridine (CID 118518261) is 2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10H-acridine.
What is the SMILES notation for 2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10H-acridine?
The canonical SMILES for 2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10H-acridine is CC1(C)c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc2Nc2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc21.
What is the InChIKey of 2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10H-acridine?
The InChIKey is NTZRLBLICCKVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H41N3/c1-43(2)31-15-7-11-19-39(31)47(40-20-12-8-16-32(40)43)29-23-25-37-35(27-29)45(5,6)36-28-30(24-26-38(36)46-37)48-41-21-13-9-17-33(41)44(3,4)34-18-10-14-22-42(34)48/h7-28,46H,1-6H3.
What are the key properties of 2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10H-acridine?
2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10H-acridine has a molecular weight of 623.84 g/mol, XLogP of 12.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10H-acridine is sourced from PubChem (CID 118518261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).