2,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile

C74H50F6N6 — CID 137368899

IUPAC2,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2c(-c3nc(-c4cccc5c4N(c4ccccc4)c4ccccc4C5(C)C)c(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)c(C#N)c3-n3c4ccccc4c4cc(C(F)(F)F)ccc43)cccc21
InChIInChI=1S/C74H50F6N6/c1-71(2)55-29-13-17-35-63(55)83(46-21-7-5-8-22-46)67-50(27-19-31-57(67)71)65-69(85-59-33-15-11-25-48(59)52-41-44(73(75,76)77)37-39-61(52)85)54(43-81)70(86-60-34-16-12-26-49(60)53-42-45(74(78,79)80)38-40-62(53)86)66(82-65)51-28-20-32-58-68(51)84(47-23-9-6-10-24-47)64-36-18-14-30-56(64)72(58,3)4/h5-42H,1-4H3
InChIKeyPKOZCLYBROBVNF-UHFFFAOYSA-N
MW1137.24 g/mol
LogP20.74
Rot. Bonds6

About 2,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile

2,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile (PubChem CID 137368899) has the molecular formula C74H50F6N6 and a molecular weight of 1137.24 g/mol. Its IUPAC name is 2,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
PubChem CID137368899
Molecular FormulaC74H50F6N6
Molecular Weight1137.24 g/mol
Exact Mass1136.40
IUPAC Name2,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2c(-c3nc(-c4cccc5c4N(c4ccccc4)c4ccccc4C5(C)C)c(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)c(C#N)c3-n3c4ccccc4c4cc(C(F)(F)F)ccc43)cccc21
InChIInChI=1S/C74H50F6N6/c1-71(2)55-29-13-17-35-63(55)83(46-21-7-5-8-22-46)67-50(27-19-31-57(67)71)65-69(85-59-33-15-11-25-48(59)52-41-44(73(75,76)77)37-39-61(52)85)54(43-81)70(86-60-34-16-12-26-49(60)53-42-45(74(78,79)80)38-40-62(53)86)66(82-65)51-28-20-32-58-68(51)84(47-23-9-6-10-24-47)64-36-18-14-30-56(64)72(58,3)4/h5-42H,1-4H3
InChIKeyPKOZCLYBROBVNF-UHFFFAOYSA-N
XLogP20.74
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001137.24
LogP ≤ 520.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile 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 2,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The IUPAC name of 2,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile (CID 137368899) is 2,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile is CC1(C)c2ccccc2N(c2ccccc2)c2c(-c3nc(-c4cccc5c4N(c4ccccc4)c4ccccc4C5(C)C)c(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)c(C#N)c3-n3c4ccccc4c4cc(C(F)(F)F)ccc43)cccc21.
What is the InChIKey of 2,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The InChIKey is PKOZCLYBROBVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50F6N6/c1-71(2)55-29-13-17-35-63(55)83(46-21-7-5-8-22-46)67-50(27-19-31-57(67)71)65-69(85-59-33-15-11-25-48(59)52-41-44(73(75,76)77)37-39-61(52)85)54(43-81)70(86-60-34-16-12-26-49(60)53-42-45(74(78,79)80)38-40-62(53)86)66(82-65)51-28-20-32-58-68(51)84(47-23-9-6-10-24-47)64-36-18-14-30-56(64)72(58,3)4/h5-42H,1-4H3.
What are the key properties of 2,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
2,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile has a molecular weight of 1137.24 g/mol, XLogP of 20.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)-3,5-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 137368899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).