1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

C30H19F2N2OP — CID 134317634

IUPAC1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESFP12(F)c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)O4
InChIInChI=1S/C30H19F2N2OP/c31-36(32)28-22-14-7-15-23(28)34(21-12-5-2-6-13-21)25-17-9-19-27(30(25)36)35-26-18-8-16-24(29(26)36)33(22)20-10-3-1-4-11-20/h1-19H
InChIKeyJVXDPFCTEMENFZ-UHFFFAOYSA-N
MW492.47 g/mol
LogP7.96
Rot. Bonds2

About 1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 134317634) has the molecular formula C30H19F2N2OP and a molecular weight of 492.47 g/mol. Its IUPAC name is 1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID134317634
Molecular FormulaC30H19F2N2OP
Molecular Weight492.47 g/mol
Exact Mass492.12
IUPAC Name1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESFP12(F)c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)O4
InChIInChI=1S/C30H19F2N2OP/c31-36(32)28-22-14-7-15-23(28)34(21-12-5-2-6-13-21)25-17-9-19-27(30(25)36)35-26-18-8-16-24(29(26)36)33(22)20-10-3-1-4-11-20/h1-19H
InChIKeyJVXDPFCTEMENFZ-UHFFFAOYSA-N
XLogP7.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.47
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 134317634) is 1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is FP12(F)c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)O4.
What is the InChIKey of 1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is JVXDPFCTEMENFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19F2N2OP/c31-36(32)28-22-14-7-15-23(28)34(21-12-5-2-6-13-21)25-17-9-19-27(30(25)36)35-26-18-8-16-24(29(26)36)33(22)20-10-3-1-4-11-20/h1-19H.
What are the key properties of 1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 492.47 g/mol, XLogP of 7.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 134317634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).