7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile

C38H22F4N4 — CID 122609811

IUPAC7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile
SMILESCC1(C)C(F)(F)c2c(C#N)c(C#N)c(C#N)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2C1(F)F
InChIInChI=1S/C38H22F4N4/c1-36(2)37(39,40)33-29(20-44)28(19-43)30(21-45)35(34(33)38(36,41)42)46-31-15-13-24(22-9-5-3-6-10-22)17-26(31)27-18-25(14-16-32(27)46)23-11-7-4-8-12-23/h3-18H,1-2H3
InChIKeyMPEMCKCVLKQCEK-UHFFFAOYSA-N
MW610.61 g/mol
LogP9.96
Rot. Bonds3

About 7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile

7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile (PubChem CID 122609811) has the molecular formula C38H22F4N4 and a molecular weight of 610.61 g/mol. Its IUPAC name is 7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile.

Molecular Properties

Compound Name7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile
PubChem CID122609811
Molecular FormulaC38H22F4N4
Molecular Weight610.61 g/mol
Exact Mass610.18
IUPAC Name7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile
SMILESCC1(C)C(F)(F)c2c(C#N)c(C#N)c(C#N)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2C1(F)F
InChIInChI=1S/C38H22F4N4/c1-36(2)37(39,40)33-29(20-44)28(19-43)30(21-45)35(34(33)38(36,41)42)46-31-15-13-24(22-9-5-3-6-10-22)17-26(31)27-18-25(14-16-32(27)46)23-11-7-4-8-12-23/h3-18H,1-2H3
InChIKeyMPEMCKCVLKQCEK-UHFFFAOYSA-N
XLogP9.96
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.61
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile with MolForge

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Related Compounds

6,7-bis(9,9-dimethyl-2,7-diphenylacridin-10-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5-dicarbonitrile
CID 122609902
3,5-bis(3,6-diphenylcarbazol-9-yl)-2,4,6-triphenylbenzonitrile
CID 137369312
2,5-bis(3,6-dimethylcarbazol-9-yl)-3,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 154601716
2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
7-bis(2,6-dimethylphenyl)boranyl-4,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetramethyl-2H-indene-5-carbonitrile
CID 123923749
2,6-di(carbazol-9-yl)-4-(2,6-dimethylphenyl)-3,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 146631082
1,1,3,3-tetramethyl-5,6-bis(6-phenylpyrido[3,4-b]indol-9-yl)-2-benzofuran-4,7-dicarbonitrile
CID 122607642
2,3,4-tris(3,6-diphenylcarbazol-9-yl)dibenzofuran-1-carbonitrile
CID 146563392
2,6-bis(3,6-ditert-butylcarbazol-9-yl)-3,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 168845283
1,3-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-2-carbonitrile
CID 155131662
1,1,3,3-tetrafluoro-2,2-dimethyl-4,7-bis(4-phenyl-N-(4-phenylphenyl)anilino)indene-5,6-dicarbonitrile
CID 122609805
3-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 146614802

Frequently Asked Questions

What is the IUPAC name of 7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile?
The IUPAC name of 7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile (CID 122609811) is 7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile.
What is the SMILES notation for 7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile?
The canonical SMILES for 7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile is CC1(C)C(F)(F)c2c(C#N)c(C#N)c(C#N)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2C1(F)F.
What is the InChIKey of 7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile?
The InChIKey is MPEMCKCVLKQCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22F4N4/c1-36(2)37(39,40)33-29(20-44)28(19-43)30(21-45)35(34(33)38(36,41)42)46-31-15-13-24(22-9-5-3-6-10-22)17-26(31)27-18-25(14-16-32(27)46)23-11-7-4-8-12-23/h3-18H,1-2H3.
What are the key properties of 7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile?
7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile has a molecular weight of 610.61 g/mol, XLogP of 9.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2,2-dimethylindene-4,5,6-tricarbonitrile is sourced from PubChem (CID 122609811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).