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

C30H19BiF2N2O — CID 140848897

IUPAC1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESF[Bi]12(F)c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)O4
InChIInChI=1S/C30H19N2O.Bi.2FH/c1-3-10-23(11-4-1)31-25-14-7-15-26(20-25)32(24-12-5-2-6-13-24)28-17-9-19-30(22-28)33-29-18-8-16-27(31)21-29;;;/h1-19H;;2*1H/q;+2;;/p-2
InChIKeyGKUZWYSNYGYEBO-UHFFFAOYSA-L
MW670.47 g/mol
LogP6.72
Rot. Bonds2

About 1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[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-bismahexacyclo[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 140848897) has the molecular formula C30H19BiF2N2O and a molecular weight of 670.47 g/mol. Its IUPAC name is 1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[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-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID140848897
Molecular FormulaC30H19BiF2N2O
Molecular Weight670.47 g/mol
Exact Mass670.13
IUPAC Name1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESF[Bi]12(F)c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)O4
InChIInChI=1S/C30H19N2O.Bi.2FH/c1-3-10-23(11-4-1)31-25-14-7-15-26(20-25)32(24-12-5-2-6-13-24)28-17-9-19-30(22-28)33-29-18-8-16-27(31)21-29;;;/h1-19H;;2*1H/q;+2;;/p-2
InChIKeyGKUZWYSNYGYEBO-UHFFFAOYSA-L
XLogP6.72
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.47
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[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-bismahexacyclo[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-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 140848897) is 1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[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-bismahexacyclo[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-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is F[Bi]12(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-bismahexacyclo[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 GKUZWYSNYGYEBO-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H19N2O.Bi.2FH/c1-3-10-23(11-4-1)31-25-14-7-15-26(20-25)32(24-12-5-2-6-13-24)28-17-9-19-30(22-28)33-29-18-8-16-27(31)21-29;;;/h1-19H;;2*1H/q;+2;;/p-2.
What are the key properties of 1,1-difluoro-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[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-bismahexacyclo[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 670.47 g/mol, XLogP of 6.72, 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-bismahexacyclo[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 140848897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).