10-[3-fluoro-5-[3-fluoro-5-(9-methylideneacridin-10-yl)phenyl]phenyl]-9,9-dimethylacridine

C41H30F2N2 — CID 89045602

IUPAC10-[3-fluoro-5-[3-fluoro-5-(9-methylideneacridin-10-yl)phenyl]phenyl]-9,9-dimethylacridine
SMILESC=C1c2ccccc2N(c2cc(F)cc(-c3cc(F)cc(N4c5ccccc5C(C)(C)c5ccccc54)c3)c2)c2ccccc21
InChIInChI=1S/C41H30F2N2/c1-26-33-12-4-8-16-37(33)44(38-17-9-5-13-34(26)38)31-22-27(20-29(42)24-31)28-21-30(43)25-32(23-28)45-39-18-10-6-14-35(39)41(2,3)36-15-7-11-19-40(36)45/h4-25H,1H2,2-3H3
InChIKeyKVVXAVFLJIPYDH-UHFFFAOYSA-N
MW588.70 g/mol
LogP11.59
Rot. Bonds3

About 10-[3-fluoro-5-[3-fluoro-5-(9-methylideneacridin-10-yl)phenyl]phenyl]-9,9-dimethylacridine

10-[3-fluoro-5-[3-fluoro-5-(9-methylideneacridin-10-yl)phenyl]phenyl]-9,9-dimethylacridine (PubChem CID 89045602) has the molecular formula C41H30F2N2 and a molecular weight of 588.70 g/mol. Its IUPAC name is 10-[3-fluoro-5-[3-fluoro-5-(9-methylideneacridin-10-yl)phenyl]phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[3-fluoro-5-[3-fluoro-5-(9-methylideneacridin-10-yl)phenyl]phenyl]-9,9-dimethylacridine
PubChem CID89045602
Molecular FormulaC41H30F2N2
Molecular Weight588.70 g/mol
Exact Mass588.24
IUPAC Name10-[3-fluoro-5-[3-fluoro-5-(9-methylideneacridin-10-yl)phenyl]phenyl]-9,9-dimethylacridine
SMILESC=C1c2ccccc2N(c2cc(F)cc(-c3cc(F)cc(N4c5ccccc5C(C)(C)c5ccccc54)c3)c2)c2ccccc21
InChIInChI=1S/C41H30F2N2/c1-26-33-12-4-8-16-37(33)44(38-17-9-5-13-34(26)38)31-22-27(20-29(42)24-31)28-21-30(43)25-32(23-28)45-39-18-10-6-14-35(39)41(2,3)36-15-7-11-19-40(36)45/h4-25H,1H2,2-3H3
InChIKeyKVVXAVFLJIPYDH-UHFFFAOYSA-N
XLogP11.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.70
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-[3-fluoro-5-[3-fluoro-5-(9-methylideneacridin-10-yl)phenyl]phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[3-fluoro-5-[3-fluoro-5-(9-methylideneacridin-10-yl)phenyl]phenyl]-9,9-dimethylacridine (CID 89045602) is 10-[3-fluoro-5-[3-fluoro-5-(9-methylideneacridin-10-yl)phenyl]phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[3-fluoro-5-[3-fluoro-5-(9-methylideneacridin-10-yl)phenyl]phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[3-fluoro-5-[3-fluoro-5-(9-methylideneacridin-10-yl)phenyl]phenyl]-9,9-dimethylacridine is C=C1c2ccccc2N(c2cc(F)cc(-c3cc(F)cc(N4c5ccccc5C(C)(C)c5ccccc54)c3)c2)c2ccccc21.
What is the InChIKey of 10-[3-fluoro-5-[3-fluoro-5-(9-methylideneacridin-10-yl)phenyl]phenyl]-9,9-dimethylacridine?
The InChIKey is KVVXAVFLJIPYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30F2N2/c1-26-33-12-4-8-16-37(33)44(38-17-9-5-13-34(26)38)31-22-27(20-29(42)24-31)28-21-30(43)25-32(23-28)45-39-18-10-6-14-35(39)41(2,3)36-15-7-11-19-40(36)45/h4-25H,1H2,2-3H3.
What are the key properties of 10-[3-fluoro-5-[3-fluoro-5-(9-methylideneacridin-10-yl)phenyl]phenyl]-9,9-dimethylacridine?
10-[3-fluoro-5-[3-fluoro-5-(9-methylideneacridin-10-yl)phenyl]phenyl]-9,9-dimethylacridine has a molecular weight of 588.70 g/mol, XLogP of 11.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-fluoro-5-[3-fluoro-5-(9-methylideneacridin-10-yl)phenyl]phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 89045602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).