4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile

C64H52F2N4 — CID 146209492

IUPAC4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2N(c2ccc3c(c2)C(C)(C)c2ccc(-c4cc(F)c(C#N)c(F)c4)cc2C3(C)C)c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C64H52F2N4/c1-62(2)53-32-28-50(38-55(53)63(3,4)52-31-27-42(35-54(52)62)43-36-58(65)51(41-67)59(66)37-43)70-60-33-29-48(68(44-19-11-7-12-20-44)45-21-13-8-14-22-45)39-56(60)64(5,6)57-40-49(30-34-61(57)70)69(46-23-15-9-16-24-46)47-25-17-10-18-26-47/h7-40H,1-6H3
InChIKeyXAZMIGMYDGKOKQ-UHFFFAOYSA-N
MW915.14 g/mol
LogP17.52
Rot. Bonds8

About 4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile

4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile (PubChem CID 146209492) has the molecular formula C64H52F2N4 and a molecular weight of 915.14 g/mol. Its IUPAC name is 4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile.

Molecular Properties

Compound Name4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile
PubChem CID146209492
Molecular FormulaC64H52F2N4
Molecular Weight915.14 g/mol
Exact Mass914.42
IUPAC Name4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2N(c2ccc3c(c2)C(C)(C)c2ccc(-c4cc(F)c(C#N)c(F)c4)cc2C3(C)C)c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C64H52F2N4/c1-62(2)53-32-28-50(38-55(53)63(3,4)52-31-27-42(35-54(52)62)43-36-58(65)51(41-67)59(66)37-43)70-60-33-29-48(68(44-19-11-7-12-20-44)45-21-13-8-14-22-45)39-56(60)64(5,6)57-40-49(30-34-61(57)70)69(46-23-15-9-16-24-46)47-25-17-10-18-26-47/h7-40H,1-6H3
InChIKeyXAZMIGMYDGKOKQ-UHFFFAOYSA-N
XLogP17.52
TPSA33.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.14
LogP ≤ 517.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline
CID 89457920
2,6-difluoro-4-[9,9,10,10-tetramethyl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]benzonitrile
CID 146209393
2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile
CID 146209415
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
7,9,9-trimethyl-N,10-diphenyl-N-(4-phenylphenyl)acridin-2-amine
CID 144559423
4-(9,9-dimethyl-7-phenanthren-3-yl-10-phenylacridin-2-yl)-N,N-diphenylaniline
CID 118122536
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
7-dibenzofuran-2-yl-9,9-dimethyl-N-phenanthren-3-yl-N-phenyl-10-(4-phenylphenyl)acridin-2-amine
CID 118122889
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]acridine;10-(9,9'-spirobi[fluorene]-2-yl)phenoxazine
CID 159284639

Frequently Asked Questions

What is the IUPAC name of 4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile?
The IUPAC name of 4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile (CID 146209492) is 4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile.
What is the SMILES notation for 4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile?
The canonical SMILES for 4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2N(c2ccc3c(c2)C(C)(C)c2ccc(-c4cc(F)c(C#N)c(F)c4)cc2C3(C)C)c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile?
The InChIKey is XAZMIGMYDGKOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52F2N4/c1-62(2)53-32-28-50(38-55(53)63(3,4)52-31-27-42(35-54(52)62)43-36-58(65)51(41-67)59(66)37-43)70-60-33-29-48(68(44-19-11-7-12-20-44)45-21-13-8-14-22-45)39-56(60)64(5,6)57-40-49(30-34-61(57)70)69(46-23-15-9-16-24-46)47-25-17-10-18-26-47/h7-40H,1-6H3.
What are the key properties of 4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile?
4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile has a molecular weight of 915.14 g/mol, XLogP of 17.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile is sourced from PubChem (CID 146209492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).