SMNMWMFXILURMC-UHFFFAOYSA-N

Name: SMNMWMFXILURMC-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₁₆F₁₂N₂ — CID 162573415

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6,9,17-trimethyl-12,12,13,13-tetrakis(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1,3,5,7,10,14,16-heptaene

SMILESCC1=CC=C2C3C1=c1cccc(C)c1=C1N(C)C=C(N13)C(C(F)(F)F)(C(F)(F)F)C2(C(F)(F)F)C(F)(F)F

InChIInChI=1S/C24H16F12N2/c1-10-5-4-6-12-15-11(2)7-8-13-17(15)38-14(9-37(3)18(38)16(10)12)20(23(31,32)33,24(34,35)36)19(13,21(25,26)27)22(28,29)30/h4-9,17H,1-3H3

InChIKeyFDRMMHXRZQOVGO-UHFFFAOYSA-N

MW560.38 g/mol

LogP5.80

Rot. Bonds

About SMNMWMFXILURMC-UHFFFAOYSA-N

SMNMWMFXILURMC-UHFFFAOYSA-N (PubChem CID 162573415) has the molecular formula C₂₄H₁₆F₁₂N₂ and a molecular weight of 560.38 g/mol. Its IUPAC name is 6,9,17-trimethyl-12,12,13,13-tetrakis(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1,3,5,7,10,14,16-heptaene.

Molecular Properties

Compound Name	SMNMWMFXILURMC-UHFFFAOYSA-N
PubChem CID	162573415
Molecular Formula	C₂₄H₁₆F₁₂N₂
Molecular Weight	560.38 g/mol
Exact Mass	560.11
IUPAC Name	6,9,17-trimethyl-12,12,13,13-tetrakis(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1,3,5,7,10,14,16-heptaene
SMILES	CC1=CC=C2C3C1=c1cccc(C)c1=C1N(C)C=C(N13)C(C(F)(F)F)(C(F)(F)F)C2(C(F)(F)F)C(F)(F)F
InChI	InChI=1S/C24H16F12N2/c1-10-5-4-6-12-15-11(2)7-8-13-17(15)38-14(9-37(3)18(38)16(10)12)20(23(31,32)33,24(34,35)36)19(13,21(25,26)27)22(28,29)30/h4-9,17H,1-3H3
InChIKey	FDRMMHXRZQOVGO-UHFFFAOYSA-N
XLogP	5.80
TPSA	6.48 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.38
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of SMNMWMFXILURMC-UHFFFAOYSA-N?

The IUPAC name of SMNMWMFXILURMC-UHFFFAOYSA-N (CID 162573415) is 6,9,17-trimethyl-12,12,13,13-tetrakis(trifluoromethyl)-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1,3,5,7,10,14,16-heptaene.

What is the SMILES notation for SMNMWMFXILURMC-UHFFFAOYSA-N?

The canonical SMILES for SMNMWMFXILURMC-UHFFFAOYSA-N is CC1=CC=C2C3C1=c1cccc(C)c1=C1N(C)C=C(N13)C(C(F)(F)F)(C(F)(F)F)C2(C(F)(F)F)C(F)(F)F.

What is the InChIKey of SMNMWMFXILURMC-UHFFFAOYSA-N?

The InChIKey is FDRMMHXRZQOVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F12N2/c1-10-5-4-6-12-15-11(2)7-8-13-17(15)38-14(9-37(3)18(38)16(10)12)20(23(31,32)33,24(34,35)36)19(13,21(25,26)27)22(28,29)30/h4-9,17H,1-3H3.

What are the key properties of SMNMWMFXILURMC-UHFFFAOYSA-N?

SMNMWMFXILURMC-UHFFFAOYSA-N has a molecular weight of 560.38 g/mol, XLogP of 5.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for SMNMWMFXILURMC-UHFFFAOYSA-N is sourced from PubChem (CID 162573415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 162573415 — identifiers, structure, computed properties (public domain)

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