9-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyclopenta-1,3-dien-1-yl-3-pyridinyl]-3,6-bis(trifluoromethyl)carbazole

C38H19F12N3 — CID 142452358

About 9-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyclopenta-1,3-dien-1-yl-3-pyridinyl]-3,6-bis(trifluoromethyl)carbazole

9-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyclopenta-1,3-dien-1-yl-3-pyridinyl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 142452358) has the molecular formula C38H19F12N3 and a molecular weight of 745.57 g/mol. Its IUPAC name is 9-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyclopenta-1,3-dien-1-yl-3-pyridinyl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

• Compound Name: 9-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyclopenta-1,3-dien-1-yl-3-pyridinyl]-3,6-bis(trifluoromethyl)carbazole
• PubChem CID: 142452358
• Molecular Formula: C38H19F12N3
• Molecular Weight: 745.57 g/mol
• Exact Mass: 745.14
• IUPAC Name: 9-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyclopenta-1,3-dien-1-yl-3-pyridinyl]-3,6-bis(trifluoromethyl)carbazole
• SMILES: FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1cncc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1C1=CC=CC1
• InChI: InChI=1S/C38H19F12N3/c39-35(40,41)20-5-9-28-24(13-20)25-14-21(36(42,43)44)6-10-29(25)52(28)32-17-51-18-33(34(32)19-3-1-2-4-19)53-30-11-7-22(37(45,46)47)15-26(30)27-16-23(38(48,49)50)8-12-31(27)53/h1-3,5-18H,4H2
• InChIKey: UFBOGOMVWKAXQA-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.57
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyclopenta-1,3-dien-1-yl-3-pyridinyl]-3,6-bis(trifluoromethyl)carbazole?

The IUPAC name of 9-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyclopenta-1,3-dien-1-yl-3-pyridinyl]-3,6-bis(trifluoromethyl)carbazole (CID 142452358) is 9-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyclopenta-1,3-dien-1-yl-3-pyridinyl]-3,6-bis(trifluoromethyl)carbazole.

What is the SMILES notation for 9-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyclopenta-1,3-dien-1-yl-3-pyridinyl]-3,6-bis(trifluoromethyl)carbazole?

The canonical SMILES for 9-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyclopenta-1,3-dien-1-yl-3-pyridinyl]-3,6-bis(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1cncc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1C1=CC=CC1.

What is the InChIKey of 9-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyclopenta-1,3-dien-1-yl-3-pyridinyl]-3,6-bis(trifluoromethyl)carbazole?

The InChIKey is UFBOGOMVWKAXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H19F12N3/c39-35(40,41)20-5-9-28-24(13-20)25-14-21(36(42,43)44)6-10-29(25)52(28)32-17-51-18-33(34(32)19-3-1-2-4-19)53-30-11-7-22(37(45,46)47)15-26(30)27-16-23(38(48,49)50)8-12-31(27)53/h1-3,5-18H,4H2.

What are the key properties of 9-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyclopenta-1,3-dien-1-yl-3-pyridinyl]-3,6-bis(trifluoromethyl)carbazole?

9-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyclopenta-1,3-dien-1-yl-3-pyridinyl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 745.57 g/mol, XLogP of 12.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyclopenta-1,3-dien-1-yl-3-pyridinyl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 142452358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).