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

C46H32F4N2 — CID 144909884

IUPAC9-methyl-10-[4-[2,3,5,6-tetrafluoro-4-[4-(9-methyl-9H-acridin-10-yl)phenyl]phenyl]phenyl]-9H-acridine
SMILESCC1c2ccccc2N(c2ccc(-c3c(F)c(F)c(-c4ccc(N5c6ccccc6C(C)c6ccccc65)cc4)c(F)c3F)cc2)c2ccccc21
InChIInChI=1S/C46H32F4N2/c1-27-33-11-3-7-15-37(33)51(38-16-8-4-12-34(27)38)31-23-19-29(20-24-31)41-43(47)45(49)42(46(50)44(41)48)30-21-25-32(26-22-30)52-39-17-9-5-13-35(39)28(2)36-14-6-10-18-40(36)52/h3-28H,1-2H3
InChIKeyFUNIOGFDJDJZAF-UHFFFAOYSA-N
MW688.77 g/mol
LogP13.45
Rot. Bonds4

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

9-methyl-10-[4-[2,3,5,6-tetrafluoro-4-[4-(9-methyl-9H-acridin-10-yl)phenyl]phenyl]phenyl]-9H-acridine (PubChem CID 144909884) has the molecular formula C46H32F4N2 and a molecular weight of 688.77 g/mol. Its IUPAC name is 9-methyl-10-[4-[2,3,5,6-tetrafluoro-4-[4-(9-methyl-9H-acridin-10-yl)phenyl]phenyl]phenyl]-9H-acridine.

Molecular Properties

Compound Name9-methyl-10-[4-[2,3,5,6-tetrafluoro-4-[4-(9-methyl-9H-acridin-10-yl)phenyl]phenyl]phenyl]-9H-acridine
PubChem CID144909884
Molecular FormulaC46H32F4N2
Molecular Weight688.77 g/mol
Exact Mass688.25
IUPAC Name9-methyl-10-[4-[2,3,5,6-tetrafluoro-4-[4-(9-methyl-9H-acridin-10-yl)phenyl]phenyl]phenyl]-9H-acridine
SMILESCC1c2ccccc2N(c2ccc(-c3c(F)c(F)c(-c4ccc(N5c6ccccc6C(C)c6ccccc65)cc4)c(F)c3F)cc2)c2ccccc21
InChIInChI=1S/C46H32F4N2/c1-27-33-11-3-7-15-37(33)51(38-16-8-4-12-34(27)38)31-23-19-29(20-24-31)41-43(47)45(49)42(46(50)44(41)48)30-21-25-32(26-22-30)52-39-17-9-5-13-35(39)28(2)36-14-6-10-18-40(36)52/h3-28H,1-2H3
InChIKeyFUNIOGFDJDJZAF-UHFFFAOYSA-N
XLogP13.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.77
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-methyl-10-[4-[2,3,5,6-tetrafluoro-4-[4-(9-methyl-9H-acridin-10-yl)phenyl]phenyl]phenyl]-9H-acridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-[4-[2,3,5,6-tetrafluoro-4-[4-(9-methyl-9H-acridin-10-yl)phenyl]phenyl]phenyl]-9H-acridine?
The IUPAC name of 9-methyl-10-[4-[2,3,5,6-tetrafluoro-4-[4-(9-methyl-9H-acridin-10-yl)phenyl]phenyl]phenyl]-9H-acridine (CID 144909884) is 9-methyl-10-[4-[2,3,5,6-tetrafluoro-4-[4-(9-methyl-9H-acridin-10-yl)phenyl]phenyl]phenyl]-9H-acridine.
What is the SMILES notation for 9-methyl-10-[4-[2,3,5,6-tetrafluoro-4-[4-(9-methyl-9H-acridin-10-yl)phenyl]phenyl]phenyl]-9H-acridine?
The canonical SMILES for 9-methyl-10-[4-[2,3,5,6-tetrafluoro-4-[4-(9-methyl-9H-acridin-10-yl)phenyl]phenyl]phenyl]-9H-acridine is CC1c2ccccc2N(c2ccc(-c3c(F)c(F)c(-c4ccc(N5c6ccccc6C(C)c6ccccc65)cc4)c(F)c3F)cc2)c2ccccc21.
What is the InChIKey of 9-methyl-10-[4-[2,3,5,6-tetrafluoro-4-[4-(9-methyl-9H-acridin-10-yl)phenyl]phenyl]phenyl]-9H-acridine?
The InChIKey is FUNIOGFDJDJZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32F4N2/c1-27-33-11-3-7-15-37(33)51(38-16-8-4-12-34(27)38)31-23-19-29(20-24-31)41-43(47)45(49)42(46(50)44(41)48)30-21-25-32(26-22-30)52-39-17-9-5-13-35(39)28(2)36-14-6-10-18-40(36)52/h3-28H,1-2H3.
What are the key properties of 9-methyl-10-[4-[2,3,5,6-tetrafluoro-4-[4-(9-methyl-9H-acridin-10-yl)phenyl]phenyl]phenyl]-9H-acridine?
9-methyl-10-[4-[2,3,5,6-tetrafluoro-4-[4-(9-methyl-9H-acridin-10-yl)phenyl]phenyl]phenyl]-9H-acridine has a molecular weight of 688.77 g/mol, XLogP of 13.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-[4-[2,3,5,6-tetrafluoro-4-[4-(9-methyl-9H-acridin-10-yl)phenyl]phenyl]phenyl]-9H-acridine is sourced from PubChem (CID 144909884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).