4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine

C34H22F34N2 — CID 10964217

IUPAC4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCc1ccnc(-c2cc(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccn2)c1
InChIInChI=1S/C34H22F34N2/c35-19(36,21(39,40)23(43,44)25(47,48)27(51,52)29(55,56)31(59,60)33(63,64)65)9-3-1-5-15-7-11-69-17(13-15)18-14-16(8-12-70-18)6-2-4-10-20(37,38)22(41,42)24(45,46)26(49,50)28(53,54)30(57,58)32(61,62)34(66,67)68/h7-8,11-14H,1-6,9-10H2
InChIKeyBRAVOXXURINRAZ-UHFFFAOYSA-N
MW1104.50 g/mol
LogP15.59
Rot. Bonds23

About 4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine

4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine (PubChem CID 10964217) has the molecular formula C34H22F34N2 and a molecular weight of 1104.50 g/mol. Its IUPAC name is 4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine
PubChem CID10964217
Molecular FormulaC34H22F34N2
Molecular Weight1104.50 g/mol
Exact Mass1104.12
IUPAC Name4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCc1ccnc(-c2cc(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccn2)c1
InChIInChI=1S/C34H22F34N2/c35-19(36,21(39,40)23(43,44)25(47,48)27(51,52)29(55,56)31(59,60)33(63,64)65)9-3-1-5-15-7-11-69-17(13-15)18-14-16(8-12-70-18)6-2-4-10-20(37,38)22(41,42)24(45,46)26(49,50)28(53,54)30(57,58)32(61,62)34(66,67)68/h7-8,11-14H,1-6,9-10H2
InChIKeyBRAVOXXURINRAZ-UHFFFAOYSA-N
XLogP15.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001104.50
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine?
The IUPAC name of 4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine (CID 10964217) is 4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine?
The canonical SMILES for 4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCc1ccnc(-c2cc(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccn2)c1.
What is the InChIKey of 4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine?
The InChIKey is BRAVOXXURINRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22F34N2/c35-19(36,21(39,40)23(43,44)25(47,48)27(51,52)29(55,56)31(59,60)33(63,64)65)9-3-1-5-15-7-11-69-17(13-15)18-14-16(8-12-70-18)6-2-4-10-20(37,38)22(41,42)24(45,46)26(49,50)28(53,54)30(57,58)32(61,62)34(66,67)68/h7-8,11-14H,1-6,9-10H2.
What are the key properties of 4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine?
4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine has a molecular weight of 1104.50 g/mol, XLogP of 15.59, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-[4-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 10964217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).