2-[4-(trifluoromethyl)phenyl]-5-[17'-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyridine

C55H32F6N2 — CID 130268987

IUPAC2-[4-(trifluoromethyl)phenyl]-5-[17'-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyridine
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(C(F)(F)F)cc7)nc6)ccc5-c5ccccc5-4)c4ccccc4-c4ccccc43)cn2)cc1
InChIInChI=1S/C55H32F6N2/c56-54(57,58)39-21-13-33(14-22-39)51-27-19-37(31-62-51)35-17-25-45-41-7-1-2-8-42(41)46-26-18-36(38-20-28-52(63-32-38)34-15-23-40(24-16-34)55(59,60)61)30-50(46)53(49(45)29-35)47-11-5-3-9-43(47)44-10-4-6-12-48(44)53/h1-32H
InChIKeyBWHZSESDACXYJN-UHFFFAOYSA-N
MW834.86 g/mol
LogP15.19
Rot. Bonds4

About 2-[4-(trifluoromethyl)phenyl]-5-[17'-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyridine

2-[4-(trifluoromethyl)phenyl]-5-[17'-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyridine (PubChem CID 130268987) has the molecular formula C55H32F6N2 and a molecular weight of 834.86 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-5-[17'-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyridine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-5-[17'-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyridine
PubChem CID130268987
Molecular FormulaC55H32F6N2
Molecular Weight834.86 g/mol
Exact Mass834.25
IUPAC Name2-[4-(trifluoromethyl)phenyl]-5-[17'-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyridine
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(C(F)(F)F)cc7)nc6)ccc5-c5ccccc5-4)c4ccccc4-c4ccccc43)cn2)cc1
InChIInChI=1S/C55H32F6N2/c56-54(57,58)39-21-13-33(14-22-39)51-27-19-37(31-62-51)35-17-25-45-41-7-1-2-8-42(41)46-26-18-36(38-20-28-52(63-32-38)34-15-23-40(24-16-34)55(59,60)61)30-50(46)53(49(45)29-35)47-11-5-3-9-43(47)44-10-4-6-12-48(44)53/h1-32H
InChIKeyBWHZSESDACXYJN-UHFFFAOYSA-N
XLogP15.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.86
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(trifluoromethyl)phenyl]-5-[17'-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-5-[17'-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyridine?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-5-[17'-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyridine (CID 130268987) is 2-[4-(trifluoromethyl)phenyl]-5-[17'-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyridine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-5-[17'-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyridine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-5-[17'-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyridine is FC(F)(F)c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(C(F)(F)F)cc7)nc6)ccc5-c5ccccc5-4)c4ccccc4-c4ccccc43)cn2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-5-[17'-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyridine?
The InChIKey is BWHZSESDACXYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32F6N2/c56-54(57,58)39-21-13-33(14-22-39)51-27-19-37(31-62-51)35-17-25-45-41-7-1-2-8-42(41)46-26-18-36(38-20-28-52(63-32-38)34-15-23-40(24-16-34)55(59,60)61)30-50(46)53(49(45)29-35)47-11-5-3-9-43(47)44-10-4-6-12-48(44)53/h1-32H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-5-[17'-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyridine?
2-[4-(trifluoromethyl)phenyl]-5-[17'-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyridine has a molecular weight of 834.86 g/mol, XLogP of 15.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-5-[17'-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyridine is sourced from PubChem (CID 130268987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).