(1S,1aR,6bR)-2-naphthalen-2-yl-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole

C26H18F3N — CID 172643263

IUPAC(1S,1aR,6bR)-2-naphthalen-2-yl-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole
SMILESFC(F)(F)[C@]1(c2ccccc2)[C@H]2c3ccccc3N(c3ccc4ccccc4c3)[C@H]21
InChIInChI=1S/C26H18F3N/c27-26(28,29)25(19-10-2-1-3-11-19)23-21-12-6-7-13-22(21)30(24(23)25)20-15-14-17-8-4-5-9-18(17)16-20/h1-16,23-24H/t23-,24+,25+/m0/s1
InChIKeyQFUQOFXSHFMAOH-ISJGIBHGSA-N
MW401.43 g/mol
LogP6.96
Rot. Bonds2

About (1S,1aR,6bR)-2-naphthalen-2-yl-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole

(1S,1aR,6bR)-2-naphthalen-2-yl-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole (PubChem CID 172643263) has the molecular formula C26H18F3N and a molecular weight of 401.43 g/mol. Its IUPAC name is (1S,1aR,6bR)-2-naphthalen-2-yl-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole.

Molecular Properties

Compound Name(1S,1aR,6bR)-2-naphthalen-2-yl-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole
PubChem CID172643263
Molecular FormulaC26H18F3N
Molecular Weight401.43 g/mol
Exact Mass401.14
IUPAC Name(1S,1aR,6bR)-2-naphthalen-2-yl-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole
SMILESFC(F)(F)[C@]1(c2ccccc2)[C@H]2c3ccccc3N(c3ccc4ccccc4c3)[C@H]21
InChIInChI=1S/C26H18F3N/c27-26(28,29)25(19-10-2-1-3-11-19)23-21-12-6-7-13-22(21)30(24(23)25)20-15-14-17-8-4-5-9-18(17)16-20/h1-16,23-24H/t23-,24+,25+/m0/s1
InChIKeyQFUQOFXSHFMAOH-ISJGIBHGSA-N
XLogP6.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.43
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,1aR,6bR)-2-naphthalen-2-yl-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole with MolForge

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Related Compounds

1-[(1S,1aR,6bR)-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indol-2-yl]-2,2-dimethylpropan-1-one
CID 172643266
(1R,1aS,6bS)-2-(2,2-difluoro-1-phenylethenyl)-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole
CID 172643279
9-naphthalen-2-yl-12-thia-9-azaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.021,26]octacosa-1(20),3,5,7,11(19),13,15,17,21,23,25,27-dodecaene
CID 163635852
5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole
CID 177454345
3-naphthalen-2-yl-3-(trifluoromethyl)diazirine
CID 118481904
3-naphthalen-2-yl-1-phenyl-3H-indol-2-one
CID 118938995
2-hydrazinyl-1-naphthalen-2-yl-2,3-dihydroquinazolin-4-one
CID 22478367
2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene
CID 164898429
1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole
CID 140841858
2-[5,6-dimethyl-1,3-di(phenanthren-2-yl)-2H-benzimidazol-2-yl]-5,6-dimethyl-1,3-di(phenanthren-2-yl)-2H-benzimidazole
CID 134437182
anthracene;benzene;naphthalene
CID 142706236
3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 5194516

Frequently Asked Questions

What is the IUPAC name of (1S,1aR,6bR)-2-naphthalen-2-yl-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole?
The IUPAC name of (1S,1aR,6bR)-2-naphthalen-2-yl-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole (CID 172643263) is (1S,1aR,6bR)-2-naphthalen-2-yl-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole.
What is the SMILES notation for (1S,1aR,6bR)-2-naphthalen-2-yl-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole?
The canonical SMILES for (1S,1aR,6bR)-2-naphthalen-2-yl-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole is FC(F)(F)[C@]1(c2ccccc2)[C@H]2c3ccccc3N(c3ccc4ccccc4c3)[C@H]21.
What is the InChIKey of (1S,1aR,6bR)-2-naphthalen-2-yl-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole?
The InChIKey is QFUQOFXSHFMAOH-ISJGIBHGSA-N. The full InChI is InChI=1S/C26H18F3N/c27-26(28,29)25(19-10-2-1-3-11-19)23-21-12-6-7-13-22(21)30(24(23)25)20-15-14-17-8-4-5-9-18(17)16-20/h1-16,23-24H/t23-,24+,25+/m0/s1.
What are the key properties of (1S,1aR,6bR)-2-naphthalen-2-yl-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole?
(1S,1aR,6bR)-2-naphthalen-2-yl-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole has a molecular weight of 401.43 g/mol, XLogP of 6.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,1aR,6bR)-2-naphthalen-2-yl-1-phenyl-1-(trifluoromethyl)-1a,6b-dihydrocyclopropa[b]indole is sourced from PubChem (CID 172643263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).