(19-fluoro-11,11,16,16,22,22,30,30-octamethyl-8-nonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3,5,7,9,12,14,17,19,21(29),23(28),24,26-tridecaenyl)phosphane

C38H34FP — CID 143982080

IUPAC(19-fluoro-11,11,16,16,22,22,30,30-octamethyl-8-nonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3,5,7,9,12,14,17,19,21(29),23(28),24,26-tridecaenyl)phosphane
SMILESCC1(C)c2cc(F)cc3c2-c2c4c1ccc1c4c4c5c(ccc(c25)C3(C)C)C(C)(C)c2cc(P)cc(c2-4)C1(C)C
InChIInChI=1S/C38H34FP/c1-35(2)19-9-11-21-31-29(19)33-27-23(35)13-17(39)14-24(27)36(3,4)20-10-12-22-32(30(20)33)34(31)28-25(37(21,5)6)15-18(40)16-26(28)38(22,7)8/h9-16H,40H2,1-8H3
InChIKeyYNIWJQSLVBENBS-UHFFFAOYSA-N
MW540.66 g/mol
LogP9.52
Rot. Bonds

About (19-fluoro-11,11,16,16,22,22,30,30-octamethyl-8-nonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3,5,7,9,12,14,17,19,21(29),23(28),24,26-tridecaenyl)phosphane

(19-fluoro-11,11,16,16,22,22,30,30-octamethyl-8-nonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3,5,7,9,12,14,17,19,21(29),23(28),24,26-tridecaenyl)phosphane (PubChem CID 143982080) has the molecular formula C38H34FP and a molecular weight of 540.66 g/mol. Its IUPAC name is (19-fluoro-11,11,16,16,22,22,30,30-octamethyl-8-nonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3,5,7,9,12,14,17,19,21(29),23(28),24,26-tridecaenyl)phosphane.

Molecular Properties

Compound Name(19-fluoro-11,11,16,16,22,22,30,30-octamethyl-8-nonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3,5,7,9,12,14,17,19,21(29),23(28),24,26-tridecaenyl)phosphane
PubChem CID143982080
Molecular FormulaC38H34FP
Molecular Weight540.66 g/mol
Exact Mass540.24
IUPAC Name(19-fluoro-11,11,16,16,22,22,30,30-octamethyl-8-nonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3,5,7,9,12,14,17,19,21(29),23(28),24,26-tridecaenyl)phosphane
SMILESCC1(C)c2cc(F)cc3c2-c2c4c1ccc1c4c4c5c(ccc(c25)C3(C)C)C(C)(C)c2cc(P)cc(c2-4)C1(C)C
InChIInChI=1S/C38H34FP/c1-35(2)19-9-11-21-31-29(19)33-27-23(35)13-17(39)14-24(27)36(3,4)20-10-12-22-32(30(20)33)34(31)28-25(37(21,5)6)15-18(40)16-26(28)38(22,7)8/h9-16H,40H2,1-8H3
InChIKeyYNIWJQSLVBENBS-UHFFFAOYSA-N
XLogP9.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (19-fluoro-11,11,16,16,22,22,30,30-octamethyl-8-nonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3,5,7,9,12,14,17,19,21(29),23(28),24,26-tridecaenyl)phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (19-fluoro-11,11,16,16,22,22,30,30-octamethyl-8-nonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3,5,7,9,12,14,17,19,21(29),23(28),24,26-tridecaenyl)phosphane?
The IUPAC name of (19-fluoro-11,11,16,16,22,22,30,30-octamethyl-8-nonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3,5,7,9,12,14,17,19,21(29),23(28),24,26-tridecaenyl)phosphane (CID 143982080) is (19-fluoro-11,11,16,16,22,22,30,30-octamethyl-8-nonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3,5,7,9,12,14,17,19,21(29),23(28),24,26-tridecaenyl)phosphane.
What is the SMILES notation for (19-fluoro-11,11,16,16,22,22,30,30-octamethyl-8-nonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3,5,7,9,12,14,17,19,21(29),23(28),24,26-tridecaenyl)phosphane?
The canonical SMILES for (19-fluoro-11,11,16,16,22,22,30,30-octamethyl-8-nonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3,5,7,9,12,14,17,19,21(29),23(28),24,26-tridecaenyl)phosphane is CC1(C)c2cc(F)cc3c2-c2c4c1ccc1c4c4c5c(ccc(c25)C3(C)C)C(C)(C)c2cc(P)cc(c2-4)C1(C)C.
What is the InChIKey of (19-fluoro-11,11,16,16,22,22,30,30-octamethyl-8-nonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3,5,7,9,12,14,17,19,21(29),23(28),24,26-tridecaenyl)phosphane?
The InChIKey is YNIWJQSLVBENBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34FP/c1-35(2)19-9-11-21-31-29(19)33-27-23(35)13-17(39)14-24(27)36(3,4)20-10-12-22-32(30(20)33)34(31)28-25(37(21,5)6)15-18(40)16-26(28)38(22,7)8/h9-16H,40H2,1-8H3.
What are the key properties of (19-fluoro-11,11,16,16,22,22,30,30-octamethyl-8-nonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3,5,7,9,12,14,17,19,21(29),23(28),24,26-tridecaenyl)phosphane?
(19-fluoro-11,11,16,16,22,22,30,30-octamethyl-8-nonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3,5,7,9,12,14,17,19,21(29),23(28),24,26-tridecaenyl)phosphane has a molecular weight of 540.66 g/mol, XLogP of 9.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (19-fluoro-11,11,16,16,22,22,30,30-octamethyl-8-nonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-1,3,5,7,9,12,14,17,19,21(29),23(28),24,26-tridecaenyl)phosphane is sourced from PubChem (CID 143982080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).