9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole

C40H18F15N3 — CID 146795795

About 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole

9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 146795795) has the molecular formula C40H18F15N3 and a molecular weight of 825.58 g/mol. Its IUPAC name is 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

• Compound Name: 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
• PubChem CID: 146795795
• Molecular Formula: C40H18F15N3
• Molecular Weight: 825.58 g/mol
• Exact Mass: 825.13
• IUPAC Name: 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
• SMILES: FC(F)(F)c1ccc(-c2ccncc2-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1
• InChI: InChI=1S/C40H18F15N3/c41-36(42,43)19-2-7-30-26(13-19)27-14-20(37(44,45)46)3-8-31(27)57(30)34-17-23(40(53,54)55)1-6-24(34)25-11-12-56-18-35(25)58-32-9-4-21(38(47,48)49)15-28(32)29-16-22(39(50,51)52)5-10-33(29)58/h1-18H
• InChIKey: RWSPFKCPEPNOIK-UHFFFAOYSA-N
• XLogP: 14.04
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.58
LogP ≤ 5	14.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole?

The IUPAC name of 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole (CID 146795795) is 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole.

What is the SMILES notation for 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole?

The canonical SMILES for 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole is FC(F)(F)c1ccc(-c2ccncc2-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1.

What is the InChIKey of 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole?

The InChIKey is RWSPFKCPEPNOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H18F15N3/c41-36(42,43)19-2-7-30-26(13-19)27-14-20(37(44,45)46)3-8-31(27)57(30)34-17-23(40(53,54)55)1-6-24(34)25-11-12-56-18-35(25)58-32-9-4-21(38(47,48)49)15-28(32)29-16-22(39(50,51)52)5-10-33(29)58/h1-18H.

What are the key properties of 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole?

9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 825.58 g/mol, XLogP of 14.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 146795795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).