5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile

C95H80N4 — CID 122607612

About 5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile

5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile (PubChem CID 122607612) has the molecular formula C95H80N4 and a molecular weight of 1277.71 g/mol. Its IUPAC name is 5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile.

Molecular Properties

• Compound Name: 5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile
• PubChem CID: 122607612
• Molecular Formula: C95H80N4
• Molecular Weight: 1277.71 g/mol
• Exact Mass: 1276.64
• IUPAC Name: 5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile
• SMILES: CC1(C)CC(C)(C)c2c(N3c4ccc(-c5ccccc5)cc4C(C)(C)c4cc(-c5ccccc5)ccc43)c(N3c4ccc(-c5ccccc5)cc4C(C)(C)c4cc(-c5ccccc5)ccc43)c(N3c4ccc(-c5ccccc5)cc4C(C)(C)c4cc(-c5ccccc5)ccc43)c(C#N)c21
• InChI: InChI=1S/C95H80N4/c1-91(2)60-92(3,4)87-86(91)73(59-96)88(97-80-47-41-67(61-29-17-11-18-30-61)53-74(80)93(5,6)75-54-68(42-48-81(75)97)62-31-19-12-20-32-62)90(99-84-51-45-71(65-37-25-15-26-38-65)57-78(84)95(9,10)79-58-72(46-52-85(79)99)66-39-27-16-28-40-66)89(87)98-82-49-43-69(63-33-21-13-22-34-63)55-76(82)94(7,8)77-56-70(44-50-83(77)98)64-35-23-14-24-36-64/h11-58H,60H2,1-10H3
• InChIKey: RHQFHKANVZLAKO-UHFFFAOYSA-N
• XLogP: 25.85
• TPSA: 33.51 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1277.71
LogP ≤ 5	25.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile?

The IUPAC name of 5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile (CID 122607612) is 5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile.

What is the SMILES notation for 5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile?

The canonical SMILES for 5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile is CC1(C)CC(C)(C)c2c(N3c4ccc(-c5ccccc5)cc4C(C)(C)c4cc(-c5ccccc5)ccc43)c(N3c4ccc(-c5ccccc5)cc4C(C)(C)c4cc(-c5ccccc5)ccc43)c(N3c4ccc(-c5ccccc5)cc4C(C)(C)c4cc(-c5ccccc5)ccc43)c(C#N)c21.

What is the InChIKey of 5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile?

The InChIKey is RHQFHKANVZLAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H80N4/c1-91(2)60-92(3,4)87-86(91)73(59-96)88(97-80-47-41-67(61-29-17-11-18-30-61)53-74(80)93(5,6)75-54-68(42-48-81(75)97)62-31-19-12-20-32-62)90(99-84-51-45-71(65-37-25-15-26-38-65)57-78(84)95(9,10)79-58-72(46-52-85(79)99)66-39-27-16-28-40-66)89(87)98-82-49-43-69(63-33-21-13-22-34-63)55-76(82)94(7,8)77-56-70(44-50-83(77)98)64-35-23-14-24-36-64/h11-58H,60H2,1-10H3.

What are the key properties of 5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile?

5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile has a molecular weight of 1277.71 g/mol, XLogP of 25.85, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6,7-tris(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile is sourced from PubChem (CID 122607612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).