2-[4-(trifluoromethyl)phenyl]-5-[17-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28-pentadecaenyl]pyridine

C54H32F6N2 — CID 130268308

IUPAC2-[4-(trifluoromethyl)phenyl]-5-[17-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28-pentadecaenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc4c5ccccc5c5ccc(-c6ccc(-c7ccc(C(F)(F)F)cc7)nc6)cc5c5ccccc5c5ccccc5c4c3)cn2)cc1
InChIInChI=1S/C54H32F6N2/c55-53(56,57)39-21-13-33(14-22-39)51-27-19-37(31-61-51)35-17-25-47-43-9-1-2-10-44(43)48-26-18-36(38-20-28-52(62-32-38)34-15-23-40(24-16-34)54(58,59)60)30-50(48)46-12-6-4-8-42(46)41-7-3-5-11-45(41)49(47)29-35/h1-32H/b42-41-,47-43-,48-44-,49-45-,50-46-
InChIKeyRQKVUGDYJYKRJE-SZLVVWTASA-N
MW822.85 g/mol
LogP16.07
Rot. Bonds4

About 2-[4-(trifluoromethyl)phenyl]-5-[17-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28-pentadecaenyl]pyridine

2-[4-(trifluoromethyl)phenyl]-5-[17-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28-pentadecaenyl]pyridine (PubChem CID 130268308) has the molecular formula C54H32F6N2 and a molecular weight of 822.85 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-5-[17-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28-pentadecaenyl]pyridine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-5-[17-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28-pentadecaenyl]pyridine
PubChem CID130268308
Molecular FormulaC54H32F6N2
Molecular Weight822.85 g/mol
Exact Mass822.25
IUPAC Name2-[4-(trifluoromethyl)phenyl]-5-[17-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28-pentadecaenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc4c5ccccc5c5ccc(-c6ccc(-c7ccc(C(F)(F)F)cc7)nc6)cc5c5ccccc5c5ccccc5c4c3)cn2)cc1
InChIInChI=1S/C54H32F6N2/c55-53(56,57)39-21-13-33(14-22-39)51-27-19-37(31-61-51)35-17-25-47-43-9-1-2-10-44(43)48-26-18-36(38-20-28-52(62-32-38)34-15-23-40(24-16-34)54(58,59)60)30-50(48)46-12-6-4-8-42(46)41-7-3-5-11-45(41)49(47)29-35/h1-32H/b42-41-,47-43-,48-44-,49-45-,50-46-
InChIKeyRQKVUGDYJYKRJE-SZLVVWTASA-N
XLogP16.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.85
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(trifluoromethyl)phenyl]-5-[17-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28-pentadecaenyl]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]-4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28-pentadecaenyl]pyridine?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-5-[17-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28-pentadecaenyl]pyridine (CID 130268308) is 2-[4-(trifluoromethyl)phenyl]-5-[17-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28-pentadecaenyl]pyridine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-5-[17-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28-pentadecaenyl]pyridine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-5-[17-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28-pentadecaenyl]pyridine is FC(F)(F)c1ccc(-c2ccc(-c3ccc4c5ccccc5c5ccc(-c6ccc(-c7ccc(C(F)(F)F)cc7)nc6)cc5c5ccccc5c5ccccc5c4c3)cn2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-5-[17-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28-pentadecaenyl]pyridine?
The InChIKey is RQKVUGDYJYKRJE-SZLVVWTASA-N. The full InChI is InChI=1S/C54H32F6N2/c55-53(56,57)39-21-13-33(14-22-39)51-27-19-37(31-61-51)35-17-25-47-43-9-1-2-10-44(43)48-26-18-36(38-20-28-52(62-32-38)34-15-23-40(24-16-34)54(58,59)60)30-50(48)46-12-6-4-8-42(46)41-7-3-5-11-45(41)49(47)29-35/h1-32H/b42-41-,47-43-,48-44-,49-45-,50-46-.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-5-[17-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28-pentadecaenyl]pyridine?
2-[4-(trifluoromethyl)phenyl]-5-[17-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28-pentadecaenyl]pyridine has a molecular weight of 822.85 g/mol, XLogP of 16.07, 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]-4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,20,22,24,26,28-pentadecaenyl]pyridine is sourced from PubChem (CID 130268308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).