10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-9H-acridine

C25H10F9N — CID 162503001

IUPAC10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-9H-acridine
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(N3c4ccccc4Cc4ccccc43)c(F)c2F)c(F)c1F
InChIInChI=1S/C25H10F9N/c26-16-14(17(27)21(31)22(32)20(16)30)15-18(28)23(33)25(24(34)19(15)29)35-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)35/h1-8H,9H2
InChIKeyWSGDGYXSNWHSFH-UHFFFAOYSA-N
MW495.34 g/mol
LogP7.98
Rot. Bonds2

About 10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-9H-acridine

10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-9H-acridine (PubChem CID 162503001) has the molecular formula C25H10F9N and a molecular weight of 495.34 g/mol. Its IUPAC name is 10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-9H-acridine.

Molecular Properties

Compound Name10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-9H-acridine
PubChem CID162503001
Molecular FormulaC25H10F9N
Molecular Weight495.34 g/mol
Exact Mass495.07
IUPAC Name10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-9H-acridine
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(N3c4ccccc4Cc4ccccc43)c(F)c2F)c(F)c1F
InChIInChI=1S/C25H10F9N/c26-16-14(17(27)21(31)22(32)20(16)30)15-18(28)23(33)25(24(34)19(15)29)35-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)35/h1-8H,9H2
InChIKeyWSGDGYXSNWHSFH-UHFFFAOYSA-N
XLogP7.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.34
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

10-[3-(9H-acridin-10-yl)-4,5-difluoro-2,6-bis(trifluoromethyl)phenyl]-9H-acridine
CID 134169811
2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 122432558
9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine
CID 162503025
10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine
CID 135130813
1,3,14-trimethyl-8-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-8-azatetracyclo[7.5.1.02,7.013,15]pentadeca-2,4,6,9,11,13(15)-hexaene
CID 163539907
10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 177493168
1,18-diazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene
CID 167537206
10-[2,3,4,5-tetramethyl-6-(2,5,6,7,8-pentafluoro-3-methyl-1,8a-dihydroquinolin-4-yl)phenyl]-9H-acridine
CID 155041876
10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine
CID 140910342
10-(4-ethylphenyl)-9H-acridine
CID 131970743
11-[2,4,6-tris(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3,5-bis(trifluoromethyl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine
CID 134169828
9H-acridin-10-ylmethanol
CID 23521289

Frequently Asked Questions

What is the IUPAC name of 10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-9H-acridine?
The IUPAC name of 10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-9H-acridine (CID 162503001) is 10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-9H-acridine.
What is the SMILES notation for 10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-9H-acridine?
The canonical SMILES for 10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-9H-acridine is Fc1c(F)c(F)c(-c2c(F)c(F)c(N3c4ccccc4Cc4ccccc43)c(F)c2F)c(F)c1F.
What is the InChIKey of 10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-9H-acridine?
The InChIKey is WSGDGYXSNWHSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H10F9N/c26-16-14(17(27)21(31)22(32)20(16)30)15-18(28)23(33)25(24(34)19(15)29)35-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)35/h1-8H,9H2.
What are the key properties of 10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-9H-acridine?
10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-9H-acridine has a molecular weight of 495.34 g/mol, XLogP of 7.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-9H-acridine is sourced from PubChem (CID 162503001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).