3,6-bis(9,9-dimethylacridin-10-yl)fluoren-9-one

C43H34N2O — CID 154012941

IUPAC3,6-bis(9,9-dimethylacridin-10-yl)fluoren-9-one
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)-c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2C3=O)c2ccccc21
InChIInChI=1S/C43H34N2O/c1-42(2)33-13-5-9-17-37(33)44(38-18-10-6-14-34(38)42)27-21-23-29-31(25-27)32-26-28(22-24-30(32)41(29)46)45-39-19-11-7-15-35(39)43(3,4)36-16-8-12-20-40(36)45/h5-26H,1-4H3
InChIKeyJTFYPFNDMVWBAR-UHFFFAOYSA-N
MW594.76 g/mol
LogP11.12
Rot. Bonds2

About 3,6-bis(9,9-dimethylacridin-10-yl)fluoren-9-one

3,6-bis(9,9-dimethylacridin-10-yl)fluoren-9-one (PubChem CID 154012941) has the molecular formula C43H34N2O and a molecular weight of 594.76 g/mol. Its IUPAC name is 3,6-bis(9,9-dimethylacridin-10-yl)fluoren-9-one.

Molecular Properties

Compound Name3,6-bis(9,9-dimethylacridin-10-yl)fluoren-9-one
PubChem CID154012941
Molecular FormulaC43H34N2O
Molecular Weight594.76 g/mol
Exact Mass594.27
IUPAC Name3,6-bis(9,9-dimethylacridin-10-yl)fluoren-9-one
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)-c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2C3=O)c2ccccc21
InChIInChI=1S/C43H34N2O/c1-42(2)33-13-5-9-17-37(33)44(38-18-10-6-14-34(38)42)27-21-23-29-31(25-27)32-26-28(22-24-30(32)41(29)46)45-39-19-11-7-15-35(39)43(3,4)36-16-8-12-20-40(36)45/h5-26H,1-4H3
InChIKeyJTFYPFNDMVWBAR-UHFFFAOYSA-N
XLogP11.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.76
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(9,9-dimethylacridin-10-yl)fluoren-9-one?
The IUPAC name of 3,6-bis(9,9-dimethylacridin-10-yl)fluoren-9-one (CID 154012941) is 3,6-bis(9,9-dimethylacridin-10-yl)fluoren-9-one.
What is the SMILES notation for 3,6-bis(9,9-dimethylacridin-10-yl)fluoren-9-one?
The canonical SMILES for 3,6-bis(9,9-dimethylacridin-10-yl)fluoren-9-one is CC1(C)c2ccccc2N(c2ccc3c(c2)-c2cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc2C3=O)c2ccccc21.
What is the InChIKey of 3,6-bis(9,9-dimethylacridin-10-yl)fluoren-9-one?
The InChIKey is JTFYPFNDMVWBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2O/c1-42(2)33-13-5-9-17-37(33)44(38-18-10-6-14-34(38)42)27-21-23-29-31(25-27)32-26-28(22-24-30(32)41(29)46)45-39-19-11-7-15-35(39)43(3,4)36-16-8-12-20-40(36)45/h5-26H,1-4H3.
What are the key properties of 3,6-bis(9,9-dimethylacridin-10-yl)fluoren-9-one?
3,6-bis(9,9-dimethylacridin-10-yl)fluoren-9-one has a molecular weight of 594.76 g/mol, XLogP of 11.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(9,9-dimethylacridin-10-yl)fluoren-9-one is sourced from PubChem (CID 154012941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).