10-[3-[3-(9,9-dimethylacridin-10-yl)-5-fluorophenyl]-5-fluorophenyl]-9,9-dimethylacridine

C42H34F2N2 — CID 59399631

IUPAC10-[3-[3-(9,9-dimethylacridin-10-yl)-5-fluorophenyl]-5-fluorophenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cc(F)cc(-c3cc(F)cc(N4c5ccccc5C(C)(C)c5ccccc54)c3)c2)c2ccccc21
InChIInChI=1S/C42H34F2N2/c1-41(2)33-13-5-9-17-37(33)45(38-18-10-6-14-34(38)41)31-23-27(21-29(43)25-31)28-22-30(44)26-32(24-28)46-39-19-11-7-15-35(39)42(3,4)36-16-8-12-20-40(36)46/h5-26H,1-4H3
InChIKeyFWTHMWZXDUJVRO-UHFFFAOYSA-N
MW604.74 g/mol
LogP11.85
Rot. Bonds3

About 10-[3-[3-(9,9-dimethylacridin-10-yl)-5-fluorophenyl]-5-fluorophenyl]-9,9-dimethylacridine

10-[3-[3-(9,9-dimethylacridin-10-yl)-5-fluorophenyl]-5-fluorophenyl]-9,9-dimethylacridine (PubChem CID 59399631) has the molecular formula C42H34F2N2 and a molecular weight of 604.74 g/mol. Its IUPAC name is 10-[3-[3-(9,9-dimethylacridin-10-yl)-5-fluorophenyl]-5-fluorophenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[3-[3-(9,9-dimethylacridin-10-yl)-5-fluorophenyl]-5-fluorophenyl]-9,9-dimethylacridine
PubChem CID59399631
Molecular FormulaC42H34F2N2
Molecular Weight604.74 g/mol
Exact Mass604.27
IUPAC Name10-[3-[3-(9,9-dimethylacridin-10-yl)-5-fluorophenyl]-5-fluorophenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cc(F)cc(-c3cc(F)cc(N4c5ccccc5C(C)(C)c5ccccc54)c3)c2)c2ccccc21
InChIInChI=1S/C42H34F2N2/c1-41(2)33-13-5-9-17-37(33)45(38-18-10-6-14-34(38)41)31-23-27(21-29(43)25-31)28-22-30(44)26-32(24-28)46-39-19-11-7-15-35(39)42(3,4)36-16-8-12-20-40(36)46/h5-26H,1-4H3
InChIKeyFWTHMWZXDUJVRO-UHFFFAOYSA-N
XLogP11.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.74
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-(9,9-dimethylacridin-10-yl)-5-fluorophenyl]-5-fluorophenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[3-[3-(9,9-dimethylacridin-10-yl)-5-fluorophenyl]-5-fluorophenyl]-9,9-dimethylacridine (CID 59399631) is 10-[3-[3-(9,9-dimethylacridin-10-yl)-5-fluorophenyl]-5-fluorophenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[3-[3-(9,9-dimethylacridin-10-yl)-5-fluorophenyl]-5-fluorophenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[3-[3-(9,9-dimethylacridin-10-yl)-5-fluorophenyl]-5-fluorophenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2cc(F)cc(-c3cc(F)cc(N4c5ccccc5C(C)(C)c5ccccc54)c3)c2)c2ccccc21.
What is the InChIKey of 10-[3-[3-(9,9-dimethylacridin-10-yl)-5-fluorophenyl]-5-fluorophenyl]-9,9-dimethylacridine?
The InChIKey is FWTHMWZXDUJVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34F2N2/c1-41(2)33-13-5-9-17-37(33)45(38-18-10-6-14-34(38)41)31-23-27(21-29(43)25-31)28-22-30(44)26-32(24-28)46-39-19-11-7-15-35(39)42(3,4)36-16-8-12-20-40(36)46/h5-26H,1-4H3.
What are the key properties of 10-[3-[3-(9,9-dimethylacridin-10-yl)-5-fluorophenyl]-5-fluorophenyl]-9,9-dimethylacridine?
10-[3-[3-(9,9-dimethylacridin-10-yl)-5-fluorophenyl]-5-fluorophenyl]-9,9-dimethylacridine has a molecular weight of 604.74 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3-(9,9-dimethylacridin-10-yl)-5-fluorophenyl]-5-fluorophenyl]-9,9-dimethylacridine is sourced from PubChem (CID 59399631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).