1,1,3,3-tetrafluoro-2,2-dimethyl-4,7-bis(4-phenyl-N-(4-phenylphenyl)anilino)indene-5,6-dicarbonitrile

C61H42F4N4 — CID 122609805

IUPAC1,1,3,3-tetrafluoro-2,2-dimethyl-4,7-bis(4-phenyl-N-(4-phenylphenyl)anilino)indene-5,6-dicarbonitrile
SMILESCC1(C)C(F)(F)c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c(C#N)c(C#N)c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2C1(F)F
InChIInChI=1S/C61H42F4N4/c1-59(2)60(62,63)55-56(61(59,64)65)58(69(51-35-27-47(28-36-51)43-19-11-5-12-20-43)52-37-29-48(30-38-52)44-21-13-6-14-22-44)54(40-67)53(39-66)57(55)68(49-31-23-45(24-32-49)41-15-7-3-8-16-41)50-33-25-46(26-34-50)42-17-9-4-10-18-42/h3-38H,1-2H3
InChIKeyGOMDIPNOVLRGGP-UHFFFAOYSA-N
MW907.03 g/mol
LogP17.26
Rot. Bonds10

About 1,1,3,3-tetrafluoro-2,2-dimethyl-4,7-bis(4-phenyl-N-(4-phenylphenyl)anilino)indene-5,6-dicarbonitrile

1,1,3,3-tetrafluoro-2,2-dimethyl-4,7-bis(4-phenyl-N-(4-phenylphenyl)anilino)indene-5,6-dicarbonitrile (PubChem CID 122609805) has the molecular formula C61H42F4N4 and a molecular weight of 907.03 g/mol. Its IUPAC name is 1,1,3,3-tetrafluoro-2,2-dimethyl-4,7-bis(4-phenyl-N-(4-phenylphenyl)anilino)indene-5,6-dicarbonitrile.

Molecular Properties

Compound Name1,1,3,3-tetrafluoro-2,2-dimethyl-4,7-bis(4-phenyl-N-(4-phenylphenyl)anilino)indene-5,6-dicarbonitrile
PubChem CID122609805
Molecular FormulaC61H42F4N4
Molecular Weight907.03 g/mol
Exact Mass906.33
IUPAC Name1,1,3,3-tetrafluoro-2,2-dimethyl-4,7-bis(4-phenyl-N-(4-phenylphenyl)anilino)indene-5,6-dicarbonitrile
SMILESCC1(C)C(F)(F)c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c(C#N)c(C#N)c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2C1(F)F
InChIInChI=1S/C61H42F4N4/c1-59(2)60(62,63)55-56(61(59,64)65)58(69(51-35-27-47(28-36-51)43-19-11-5-12-20-43)52-37-29-48(30-38-52)44-21-13-6-14-22-44)54(40-67)53(39-66)57(55)68(49-31-23-45(24-32-49)41-15-7-3-8-16-41)50-33-25-46(26-34-50)42-17-9-4-10-18-42/h3-38H,1-2H3
InChIKeyGOMDIPNOVLRGGP-UHFFFAOYSA-N
XLogP17.26
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.03
LogP ≤ 517.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,3,3-tetrafluoro-6,7-diisocyano-5-(4-phenyl-N-(4-phenylphenyl)anilino)-2-benzofuran-4-carbonitrile
CID 140745822
7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile
CID 122609811
ethane;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158849032
6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile
CID 122609902
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
2,6-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132236
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4,5-ditert-butyl-2,3-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile
CID 140745870
N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-phenylphenyl)aniline;4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
CID 158714904
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrafluoro-2,2-dimethyl-4,7-bis(4-phenyl-N-(4-phenylphenyl)anilino)indene-5,6-dicarbonitrile?
The IUPAC name of 1,1,3,3-tetrafluoro-2,2-dimethyl-4,7-bis(4-phenyl-N-(4-phenylphenyl)anilino)indene-5,6-dicarbonitrile (CID 122609805) is 1,1,3,3-tetrafluoro-2,2-dimethyl-4,7-bis(4-phenyl-N-(4-phenylphenyl)anilino)indene-5,6-dicarbonitrile.
What is the SMILES notation for 1,1,3,3-tetrafluoro-2,2-dimethyl-4,7-bis(4-phenyl-N-(4-phenylphenyl)anilino)indene-5,6-dicarbonitrile?
The canonical SMILES for 1,1,3,3-tetrafluoro-2,2-dimethyl-4,7-bis(4-phenyl-N-(4-phenylphenyl)anilino)indene-5,6-dicarbonitrile is CC1(C)C(F)(F)c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c(C#N)c(C#N)c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2C1(F)F.
What is the InChIKey of 1,1,3,3-tetrafluoro-2,2-dimethyl-4,7-bis(4-phenyl-N-(4-phenylphenyl)anilino)indene-5,6-dicarbonitrile?
The InChIKey is GOMDIPNOVLRGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42F4N4/c1-59(2)60(62,63)55-56(61(59,64)65)58(69(51-35-27-47(28-36-51)43-19-11-5-12-20-43)52-37-29-48(30-38-52)44-21-13-6-14-22-44)54(40-67)53(39-66)57(55)68(49-31-23-45(24-32-49)41-15-7-3-8-16-41)50-33-25-46(26-34-50)42-17-9-4-10-18-42/h3-38H,1-2H3.
What are the key properties of 1,1,3,3-tetrafluoro-2,2-dimethyl-4,7-bis(4-phenyl-N-(4-phenylphenyl)anilino)indene-5,6-dicarbonitrile?
1,1,3,3-tetrafluoro-2,2-dimethyl-4,7-bis(4-phenyl-N-(4-phenylphenyl)anilino)indene-5,6-dicarbonitrile has a molecular weight of 907.03 g/mol, XLogP of 17.26, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrafluoro-2,2-dimethyl-4,7-bis(4-phenyl-N-(4-phenylphenyl)anilino)indene-5,6-dicarbonitrile is sourced from PubChem (CID 122609805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).