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

C74H50F6N6 — CID 137368866

IUPAC3,5-bis[2-(9,9-dimethylacridin-10-yl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
SMILESCC1(C)c2ccccc2N(c2ccccc2-c2c(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)nc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c(-c3ccccc3N3c4ccccc4C(C)(C)c4ccccc43)c2C#N)c2ccccc21
InChIInChI=1S/C74H50F6N6/c1-71(2)53-25-9-17-33-63(53)83(64-34-18-10-26-54(64)71)59-31-15-7-23-48(59)67-52(43-81)68(49-24-8-16-32-60(49)84-65-35-19-11-27-55(65)72(3,4)56-28-12-20-36-66(56)84)70(86-58-30-14-6-22-47(58)51-42-45(74(78,79)80)38-40-62(51)86)82-69(67)85-57-29-13-5-21-46(57)50-41-44(73(75,76)77)37-39-61(50)85/h5-42H,1-4H3
InChIKeyDEOADQNZVUXOAF-UHFFFAOYSA-N
MW1137.24 g/mol
LogP20.74
Rot. Bonds6

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

3,5-bis[2-(9,9-dimethylacridin-10-yl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile (PubChem CID 137368866) has the molecular formula C74H50F6N6 and a molecular weight of 1137.24 g/mol. Its IUPAC name is 3,5-bis[2-(9,9-dimethylacridin-10-yl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3,5-bis[2-(9,9-dimethylacridin-10-yl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
PubChem CID137368866
Molecular FormulaC74H50F6N6
Molecular Weight1137.24 g/mol
Exact Mass1136.40
IUPAC Name3,5-bis[2-(9,9-dimethylacridin-10-yl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
SMILESCC1(C)c2ccccc2N(c2ccccc2-c2c(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)nc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c(-c3ccccc3N3c4ccccc4C(C)(C)c4ccccc43)c2C#N)c2ccccc21
InChIInChI=1S/C74H50F6N6/c1-71(2)53-25-9-17-33-63(53)83(64-34-18-10-26-54(64)71)59-31-15-7-23-48(59)67-52(43-81)68(49-24-8-16-32-60(49)84-65-35-19-11-27-55(65)72(3,4)56-28-12-20-36-66(56)84)70(86-58-30-14-6-22-47(58)51-42-45(74(78,79)80)38-40-62(51)86)82-69(67)85-57-29-13-5-21-46(57)50-41-44(73(75,76)77)37-39-61(50)85/h5-42H,1-4H3
InChIKeyDEOADQNZVUXOAF-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

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis[2-(9,9-dimethylacridin-10-yl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The IUPAC name of 3,5-bis[2-(9,9-dimethylacridin-10-yl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile (CID 137368866) is 3,5-bis[2-(9,9-dimethylacridin-10-yl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3,5-bis[2-(9,9-dimethylacridin-10-yl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3,5-bis[2-(9,9-dimethylacridin-10-yl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile is CC1(C)c2ccccc2N(c2ccccc2-c2c(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)nc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c(-c3ccccc3N3c4ccccc4C(C)(C)c4ccccc43)c2C#N)c2ccccc21.
What is the InChIKey of 3,5-bis[2-(9,9-dimethylacridin-10-yl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
The InChIKey is DEOADQNZVUXOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50F6N6/c1-71(2)53-25-9-17-33-63(53)83(64-34-18-10-26-54(64)71)59-31-15-7-23-48(59)67-52(43-81)68(49-24-8-16-32-60(49)84-65-35-19-11-27-55(65)72(3,4)56-28-12-20-36-66(56)84)70(86-58-30-14-6-22-47(58)51-42-45(74(78,79)80)38-40-62(51)86)82-69(67)85-57-29-13-5-21-46(57)50-41-44(73(75,76)77)37-39-61(50)85/h5-42H,1-4H3.
What are the key properties of 3,5-bis[2-(9,9-dimethylacridin-10-yl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?
3,5-bis[2-(9,9-dimethylacridin-10-yl)phenyl]-2,6-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 3,5-bis[2-(9,9-dimethylacridin-10-yl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 137368866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).