10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine

C34H20F8N2 — CID 134169811

IUPAC10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine
SMILESFc1c(F)c(C(F)(F)F)c(N2c3ccccc3Cc3ccccc32)c(C(F)(F)F)c1N1c2ccccc2Cc2ccccc21
InChIInChI=1S/C34H20F8N2/c35-29-27(33(37,38)39)31(43-23-13-5-1-9-19(23)17-20-10-2-6-14-24(20)43)28(34(40,41)42)32(30(29)36)44-25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)44/h1-16H,17-18H2
InChIKeyRUIJCFKGJBAQFT-UHFFFAOYSA-N
MW608.53 g/mol
LogP10.75
Rot. Bonds2

About 10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine

10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine (PubChem CID 134169811) has the molecular formula C34H20F8N2 and a molecular weight of 608.53 g/mol. Its IUPAC name is 10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine.

Molecular Properties

Compound Name10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine
PubChem CID134169811
Molecular FormulaC34H20F8N2
Molecular Weight608.53 g/mol
Exact Mass608.15
IUPAC Name10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine
SMILESFc1c(F)c(C(F)(F)F)c(N2c3ccccc3Cc3ccccc32)c(C(F)(F)F)c1N1c2ccccc2Cc2ccccc21
InChIInChI=1S/C34H20F8N2/c35-29-27(33(37,38)39)31(43-23-13-5-1-9-19(23)17-20-10-2-6-14-24(20)43)28(34(40,41)42)32(30(29)36)44-25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)44/h1-16H,17-18H2
InChIKeyRUIJCFKGJBAQFT-UHFFFAOYSA-N
XLogP10.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.53
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine?
The IUPAC name of 10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine (CID 134169811) is 10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine.
What is the SMILES notation for 10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine?
The canonical SMILES for 10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine is Fc1c(F)c(C(F)(F)F)c(N2c3ccccc3Cc3ccccc32)c(C(F)(F)F)c1N1c2ccccc2Cc2ccccc21.
What is the InChIKey of 10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine?
The InChIKey is RUIJCFKGJBAQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20F8N2/c35-29-27(33(37,38)39)31(43-23-13-5-1-9-19(23)17-20-10-2-6-14-24(20)43)28(34(40,41)42)32(30(29)36)44-25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)44/h1-16H,17-18H2.
What are the key properties of 10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine?
10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine has a molecular weight of 608.53 g/mol, XLogP of 10.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine is sourced from PubChem (CID 134169811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).