3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

C68H30F24N4 — CID 134302206

About 3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (PubChem CID 134302206) has the molecular formula C68H30F24N4 and a molecular weight of 1358.97 g/mol. Its IUPAC name is 3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.

Molecular Properties

• Compound Name: 3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
• PubChem CID: 134302206
• Molecular Formula: C68H30F24N4
• Molecular Weight: 1358.97 g/mol
• Exact Mass: 1358.21
• IUPAC Name: 3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
• SMILES: N#Cc1cc(-n2c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c(-c2ccncc2)c(-n2c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c1
• InChI: InChI=1S/C68H30F24N4/c69-61(70,71)38-5-13-42(50(27-38)65(81,82)83)34-1-9-46-47-10-2-35(43-14-6-39(62(72,73)74)28-51(43)66(84,85)86)24-55(47)95(54(46)23-34)58-21-32(31-93)22-59(60(58)33-17-19-94-20-18-33)96-56-25-36(44-15-7-40(63(75,76)77)29-52(44)67(87,88)89)3-11-48(56)49-12-4-37(26-57(49)96)45-16-8-41(64(78,79)80)30-53(45)68(90,91)92/h1-30H
• InChIKey: HIAVZQDDMQLYBS-UHFFFAOYSA-N
• XLogP: 23.63
• TPSA: 46.54 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1358.97
LogP ≤ 5	23.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?

The IUPAC name of 3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (CID 134302206) is 3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.

What is the SMILES notation for 3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?

The canonical SMILES for 3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is N#Cc1cc(-n2c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c(-c2ccncc2)c(-n2c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c1.

What is the InChIKey of 3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?

The InChIKey is HIAVZQDDMQLYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H30F24N4/c69-61(70,71)38-5-13-42(50(27-38)65(81,82)83)34-1-9-46-47-10-2-35(43-14-6-39(62(72,73)74)28-51(43)66(84,85)86)24-55(47)95(54(46)23-34)58-21-32(31-93)22-59(60(58)33-17-19-94-20-18-33)96-56-25-36(44-15-7-40(63(75,76)77)29-52(44)67(87,88)89)3-11-48(56)49-12-4-37(26-57(49)96)45-16-8-41(64(78,79)80)30-53(45)68(90,91)92/h1-30H.

What are the key properties of 3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?

3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile has a molecular weight of 1358.97 g/mol, XLogP of 23.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134302206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).