4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine

C56H28F51N — CID 102156828

IUPAC4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1ccc(N(c2ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc23)c2ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc23)cc1
InChIInChI=1S/C56H28F51N/c57-33(58,36(63,64)39(69,70)42(75,76)45(81,82)48(87,88)51(93,94)54(99,100)101)20-17-23-9-13-26(14-10-23)108(31-15-11-24(27-5-1-3-7-29(27)31)18-21-34(59,60)37(65,66)40(71,72)43(77,78)46(83,84)49(89,90)52(95,96)55(102,103)104)32-16-12-25(28-6-2-4-8-30(28)32)19-22-35(61,62)38(67,68)41(73,74)44(79,80)47(85,86)50(91,92)53(97,98)56(105,106)107/h1-16H,17-22H2
InChIKeyQGLBUKIJGBCJOR-UHFFFAOYSA-N
MW1683.75 g/mol
LogP25.29
Rot. Bonds30

About 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine

4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine (PubChem CID 102156828) has the molecular formula C56H28F51N and a molecular weight of 1683.75 g/mol. Its IUPAC name is 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine
PubChem CID102156828
Molecular FormulaC56H28F51N
Molecular Weight1683.75 g/mol
Exact Mass1683.14
IUPAC Name4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1ccc(N(c2ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc23)c2ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc23)cc1
InChIInChI=1S/C56H28F51N/c57-33(58,36(63,64)39(69,70)42(75,76)45(81,82)48(87,88)51(93,94)54(99,100)101)20-17-23-9-13-26(14-10-23)108(31-15-11-24(27-5-1-3-7-29(27)31)18-21-34(59,60)37(65,66)40(71,72)43(77,78)46(83,84)49(89,90)52(95,96)55(102,103)104)32-16-12-25(28-6-2-4-8-30(28)32)19-22-35(61,62)38(67,68)41(73,74)44(79,80)47(85,86)50(91,92)53(97,98)56(105,106)107/h1-16H,17-22H2
InChIKeyQGLBUKIJGBCJOR-UHFFFAOYSA-N
XLogP25.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001683.75
LogP ≤ 525.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine?
The IUPAC name of 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine (CID 102156828) is 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine?
The canonical SMILES for 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine 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)CCc1ccc(N(c2ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc23)c2ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc23)cc1.
What is the InChIKey of 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine?
The InChIKey is QGLBUKIJGBCJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H28F51N/c57-33(58,36(63,64)39(69,70)42(75,76)45(81,82)48(87,88)51(93,94)54(99,100)101)20-17-23-9-13-26(14-10-23)108(31-15-11-24(27-5-1-3-7-29(27)31)18-21-34(59,60)37(65,66)40(71,72)43(77,78)46(83,84)49(89,90)52(95,96)55(102,103)104)32-16-12-25(28-6-2-4-8-30(28)32)19-22-35(61,62)38(67,68)41(73,74)44(79,80)47(85,86)50(91,92)53(97,98)56(105,106)107/h1-16H,17-22H2.
What are the key properties of 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine?
4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine has a molecular weight of 1683.75 g/mol, XLogP of 25.29, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 102156828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).