6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile

C67H50F4N4 — CID 122609902

About 6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile

6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile (PubChem CID 122609902) has the molecular formula C67H50F4N4 and a molecular weight of 987.16 g/mol. Its IUPAC name is 6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile.

Molecular Properties

• Compound Name: 6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile
• PubChem CID: 122609902
• Molecular Formula: C67H50F4N4
• Molecular Weight: 987.16 g/mol
• Exact Mass: 986.40
• IUPAC Name: 6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile
• SMILES: CC1(C)c2cc(-c3ccccc3)ccc2N(c2c(C#N)c(C#N)c3c(c2N2c4ccc(-c5ccccc5)cc4C(C)(C)c4cc(-c5ccccc5)ccc42)C(F)(F)C(C)(C)C3(F)F)c2ccc(-c3ccccc3)cc21
• InChI: InChI=1S/C67H50F4N4/c1-63(2)51-35-45(41-19-11-7-12-20-41)27-31-55(51)74(56-32-28-46(36-52(56)63)42-21-13-8-14-22-42)61-50(40-73)49(39-72)59-60(67(70,71)65(5,6)66(59,68)69)62(61)75-57-33-29-47(43-23-15-9-16-24-43)37-53(57)64(3,4)54-38-48(30-34-58(54)75)44-25-17-10-18-26-44/h7-38H,1-6H3
• InChIKey: YCNSDPAZAPTTMM-UHFFFAOYSA-N
• XLogP: 18.54
• TPSA: 54.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	987.16
LogP ≤ 5	18.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile?

The IUPAC name of 6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile (CID 122609902) is 6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile.

What is the SMILES notation for 6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile?

The canonical SMILES for 6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile is CC1(C)c2cc(-c3ccccc3)ccc2N(c2c(C#N)c(C#N)c3c(c2N2c4ccc(-c5ccccc5)cc4C(C)(C)c4cc(-c5ccccc5)ccc42)C(F)(F)C(C)(C)C3(F)F)c2ccc(-c3ccccc3)cc21.

What is the InChIKey of 6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile?

The InChIKey is YCNSDPAZAPTTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H50F4N4/c1-63(2)51-35-45(41-19-11-7-12-20-41)27-31-55(51)74(56-32-28-46(36-52(56)63)42-21-13-8-14-22-42)61-50(40-73)49(39-72)59-60(67(70,71)65(5,6)66(59,68)69)62(61)75-57-33-29-47(43-23-15-9-16-24-43)37-53(57)64(3,4)54-38-48(30-34-58(54)75)44-25-17-10-18-26-44/h7-38H,1-6H3.

What are the key properties of 6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile?

6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile has a molecular weight of 987.16 g/mol, XLogP of 18.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile is sourced from PubChem (CID 122609902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).