2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(9,9-dimethyl-10-phenylacridin-2-yl)pyridine-4-carbonitrile

C76H48F12N6 — CID 137369193

IUPAC2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(9,9-dimethyl-10-phenylacridin-2-yl)pyridine-4-carbonitrile
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3c(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)nc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)c(-c4ccc5c(c4)C(C)(C)c4ccccc4N5c4ccccc4)c3C#N)cc21
InChIInChI=1S/C76H48F12N6/c1-71(2)55-19-11-13-21-59(55)91(48-15-7-5-8-16-48)61-33-23-42(35-57(61)71)67-54(41-89)68(43-24-34-62-58(36-43)72(3,4)56-20-12-14-22-60(56)92(62)49-17-9-6-10-18-49)70(94-65-39-46(75(83,84)85)27-31-52(65)53-32-28-47(40-66(53)94)76(86,87)88)90-69(67)93-63-37-44(73(77,78)79)25-29-50(63)51-30-26-45(38-64(51)93)74(80,81)82/h5-40H,1-4H3
InChIKeyQQCMMMLKHOSGPZ-UHFFFAOYSA-N
MW1273.24 g/mol
LogP22.77
Rot. Bonds6

About 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(9,9-dimethyl-10-phenylacridin-2-yl)pyridine-4-carbonitrile

2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(9,9-dimethyl-10-phenylacridin-2-yl)pyridine-4-carbonitrile (PubChem CID 137369193) has the molecular formula C76H48F12N6 and a molecular weight of 1273.24 g/mol. Its IUPAC name is 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(9,9-dimethyl-10-phenylacridin-2-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(9,9-dimethyl-10-phenylacridin-2-yl)pyridine-4-carbonitrile
PubChem CID137369193
Molecular FormulaC76H48F12N6
Molecular Weight1273.24 g/mol
Exact Mass1272.37
IUPAC Name2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(9,9-dimethyl-10-phenylacridin-2-yl)pyridine-4-carbonitrile
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3c(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)nc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)c(-c4ccc5c(c4)C(C)(C)c4ccccc4N5c4ccccc4)c3C#N)cc21
InChIInChI=1S/C76H48F12N6/c1-71(2)55-19-11-13-21-59(55)91(48-15-7-5-8-16-48)61-33-23-42(35-57(61)71)67-54(41-89)68(43-24-34-62-58(36-43)72(3,4)56-20-12-14-22-60(56)92(62)49-17-9-6-10-18-49)70(94-65-39-46(75(83,84)85)27-31-52(65)53-32-28-47(40-66(53)94)76(86,87)88)90-69(67)93-63-37-44(73(77,78)79)25-29-50(63)51-30-26-45(38-64(51)93)74(80,81)82/h5-40H,1-4H3
InChIKeyQQCMMMLKHOSGPZ-UHFFFAOYSA-N
XLogP22.77
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001273.24
LogP ≤ 522.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(9,9-dimethyl-10-phenylacridin-2-yl)pyridine-4-carbonitrile?
The IUPAC name of 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(9,9-dimethyl-10-phenylacridin-2-yl)pyridine-4-carbonitrile (CID 137369193) is 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(9,9-dimethyl-10-phenylacridin-2-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(9,9-dimethyl-10-phenylacridin-2-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(9,9-dimethyl-10-phenylacridin-2-yl)pyridine-4-carbonitrile is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3c(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)nc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)c(-c4ccc5c(c4)C(C)(C)c4ccccc4N5c4ccccc4)c3C#N)cc21.
What is the InChIKey of 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(9,9-dimethyl-10-phenylacridin-2-yl)pyridine-4-carbonitrile?
The InChIKey is QQCMMMLKHOSGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48F12N6/c1-71(2)55-19-11-13-21-59(55)91(48-15-7-5-8-16-48)61-33-23-42(35-57(61)71)67-54(41-89)68(43-24-34-62-58(36-43)72(3,4)56-20-12-14-22-60(56)92(62)49-17-9-6-10-18-49)70(94-65-39-46(75(83,84)85)27-31-52(65)53-32-28-47(40-66(53)94)76(86,87)88)90-69(67)93-63-37-44(73(77,78)79)25-29-50(63)51-30-26-45(38-64(51)93)74(80,81)82/h5-40H,1-4H3.
What are the key properties of 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(9,9-dimethyl-10-phenylacridin-2-yl)pyridine-4-carbonitrile?
2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(9,9-dimethyl-10-phenylacridin-2-yl)pyridine-4-carbonitrile has a molecular weight of 1273.24 g/mol, XLogP of 22.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(9,9-dimethyl-10-phenylacridin-2-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 137369193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).