3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile

C64H42N4 — CID 130415578

IUPAC3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile
SMILESN#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c2)cc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C64H42N4/c65-43-45-37-47(41-53(39-45)67-59-33-17-13-29-55(59)63(49-21-5-1-6-22-49,50-23-7-2-8-24-50)56-30-14-18-34-60(56)67)48-38-46(44-66)40-54(42-48)68-61-35-19-15-31-57(61)64(51-25-9-3-10-26-51,52-27-11-4-12-28-52)58-32-16-20-36-62(58)68/h1-42H
InChIKeyQSWAUXLRPIMYOQ-UHFFFAOYSA-N
MW867.07 g/mol
LogP15.43
Rot. Bonds7

About 3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile

3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile (PubChem CID 130415578) has the molecular formula C64H42N4 and a molecular weight of 867.07 g/mol. Its IUPAC name is 3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile.

Molecular Properties

Compound Name3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile
PubChem CID130415578
Molecular FormulaC64H42N4
Molecular Weight867.07 g/mol
Exact Mass866.34
IUPAC Name3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile
SMILESN#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c2)cc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C64H42N4/c65-43-45-37-47(41-53(39-45)67-59-33-17-13-29-55(59)63(49-21-5-1-6-22-49,50-23-7-2-8-24-50)56-30-14-18-34-60(56)67)48-38-46(44-66)40-54(42-48)68-61-35-19-15-31-57(61)64(51-25-9-3-10-26-51,52-27-11-4-12-28-52)58-32-16-20-36-62(58)68/h1-42H
InChIKeyQSWAUXLRPIMYOQ-UHFFFAOYSA-N
XLogP15.43
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.07
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(9,9-diphenylacridin-10-yl)benzonitrile
CID 59470082
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile
CID 152865534
3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile
CID 158206044
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
3-[3-cyano-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile
CID 158925413
2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile
CID 132850576
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 138708453
4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile
CID 140910428
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide
CID 142740719
6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile
CID 157298075

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile?
The IUPAC name of 3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile (CID 130415578) is 3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile.
What is the SMILES notation for 3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile?
The canonical SMILES for 3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile is N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c2)cc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)c1.
What is the InChIKey of 3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile?
The InChIKey is QSWAUXLRPIMYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4/c65-43-45-37-47(41-53(39-45)67-59-33-17-13-29-55(59)63(49-21-5-1-6-22-49,50-23-7-2-8-24-50)56-30-14-18-34-60(56)67)48-38-46(44-66)40-54(42-48)68-61-35-19-15-31-57(61)64(51-25-9-3-10-26-51,52-27-11-4-12-28-52)58-32-16-20-36-62(58)68/h1-42H.
What are the key properties of 3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile?
3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile has a molecular weight of 867.07 g/mol, XLogP of 15.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile is sourced from PubChem (CID 130415578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).