2,4,5,6-tetrakis[2,7-bis(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile

C64H24F24N6 — CID 137369109

IUPAC2,4,5,6-tetrakis[2,7-bis(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c(C#N)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c1-n1c2cc(C(F)(F)F)ccc2c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C64H24F24N6/c65-57(66,67)27-1-9-35-36-10-2-28(58(68,69)70)18-46(36)91(45(35)17-27)53-43(25-89)54(92-47-19-29(59(71,72)73)3-11-37(47)38-12-4-30(20-48(38)92)60(74,75)76)56(94-51-23-33(63(83,84)85)7-15-41(51)42-16-8-34(24-52(42)94)64(86,87)88)55(44(53)26-90)93-49-21-31(61(77,78)79)5-13-39(49)40-14-6-32(22-50(40)93)62(80,81)82/h1-24H
InChIKeyILUPRDIFDWYTHZ-UHFFFAOYSA-N
MW1332.89 g/mol
LogP21.97
Rot. Bonds4

About 2,4,5,6-tetrakis[2,7-bis(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile

2,4,5,6-tetrakis[2,7-bis(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile (PubChem CID 137369109) has the molecular formula C64H24F24N6 and a molecular weight of 1332.89 g/mol. Its IUPAC name is 2,4,5,6-tetrakis[2,7-bis(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2,4,5,6-tetrakis[2,7-bis(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
PubChem CID137369109
Molecular FormulaC64H24F24N6
Molecular Weight1332.89 g/mol
Exact Mass1332.17
IUPAC Name2,4,5,6-tetrakis[2,7-bis(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c(C#N)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c1-n1c2cc(C(F)(F)F)ccc2c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C64H24F24N6/c65-57(66,67)27-1-9-35-36-10-2-28(58(68,69)70)18-46(36)91(45(35)17-27)53-43(25-89)54(92-47-19-29(59(71,72)73)3-11-37(47)38-12-4-30(20-48(38)92)60(74,75)76)56(94-51-23-33(63(83,84)85)7-15-41(51)42-16-8-34(24-52(42)94)64(86,87)88)55(44(53)26-90)93-49-21-31(61(77,78)79)5-13-39(49)40-14-6-32(22-50(40)93)62(80,81)82/h1-24H
InChIKeyILUPRDIFDWYTHZ-UHFFFAOYSA-N
XLogP21.97
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001332.89
LogP ≤ 521.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4,5,6-tetrakis[2,7-bis(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrakis[2,7-bis(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2,4,5,6-tetrakis[2,7-bis(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile (CID 137369109) is 2,4,5,6-tetrakis[2,7-bis(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2,4,5,6-tetrakis[2,7-bis(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2,4,5,6-tetrakis[2,7-bis(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile is N#Cc1c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c(C#N)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)c1-n1c2cc(C(F)(F)F)ccc2c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2,4,5,6-tetrakis[2,7-bis(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile?
The InChIKey is ILUPRDIFDWYTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H24F24N6/c65-57(66,67)27-1-9-35-36-10-2-28(58(68,69)70)18-46(36)91(45(35)17-27)53-43(25-89)54(92-47-19-29(59(71,72)73)3-11-37(47)38-12-4-30(20-48(38)92)60(74,75)76)56(94-51-23-33(63(83,84)85)7-15-41(51)42-16-8-34(24-52(42)94)64(86,87)88)55(44(53)26-90)93-49-21-31(61(77,78)79)5-13-39(49)40-14-6-32(22-50(40)93)62(80,81)82/h1-24H.
What are the key properties of 2,4,5,6-tetrakis[2,7-bis(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile?
2,4,5,6-tetrakis[2,7-bis(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1332.89 g/mol, XLogP of 21.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrakis[2,7-bis(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 137369109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).