[2-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-acridine]-10'-carbonyl)phenyl] thiohypofluorite

C50H31FN2OS — CID 138633478

IUPAC[2-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-acridine]-10'-carbonyl)phenyl] thiohypofluorite
SMILESO=C(c1ccccc1SF)N1c2ccc(-c3ccccc3)cc2C2(c3cc(-c4ccccc4)ccc31)c1ccccc1-n1c3ccccc3c3cccc2c31
InChIInChI=1S/C50H31FN2OS/c51-55-47-25-12-8-19-38(47)49(54)53-45-28-26-34(32-14-3-1-4-15-32)30-41(45)50(42-31-35(27-29-46(42)53)33-16-5-2-6-17-33)39-21-9-11-24-44(39)52-43-23-10-7-18-36(43)37-20-13-22-40(50)48(37)52/h1-31H
InChIKeyHGXKREUYUFSQPA-UHFFFAOYSA-N
MW726.88 g/mol
LogP13.08
Rot. Bonds4

About [2-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-acridine]-10'-carbonyl)phenyl] thiohypofluorite

[2-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-acridine]-10'-carbonyl)phenyl] thiohypofluorite (PubChem CID 138633478) has the molecular formula C50H31FN2OS and a molecular weight of 726.88 g/mol. Its IUPAC name is [2-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-acridine]-10'-carbonyl)phenyl] thiohypofluorite.

Molecular Properties

Compound Name[2-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-acridine]-10'-carbonyl)phenyl] thiohypofluorite
PubChem CID138633478
Molecular FormulaC50H31FN2OS
Molecular Weight726.88 g/mol
Exact Mass726.21
IUPAC Name[2-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-acridine]-10'-carbonyl)phenyl] thiohypofluorite
SMILESO=C(c1ccccc1SF)N1c2ccc(-c3ccccc3)cc2C2(c3cc(-c4ccccc4)ccc31)c1ccccc1-n1c3ccccc3c3cccc2c31
InChIInChI=1S/C50H31FN2OS/c51-55-47-25-12-8-19-38(47)49(54)53-45-28-26-34(32-14-3-1-4-15-32)30-41(45)50(42-31-35(27-29-46(42)53)33-16-5-2-6-17-33)39-21-9-11-24-44(39)52-43-23-10-7-18-36(43)37-20-13-22-40(50)48(37)52/h1-31H
InChIKeyHGXKREUYUFSQPA-UHFFFAOYSA-N
XLogP13.08
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-acridine]-10'-carbonyl)phenyl] thiohypofluorite with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-acridine]-10'-carbonyl)phenyl] thiohypofluorite?
The IUPAC name of [2-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-acridine]-10'-carbonyl)phenyl] thiohypofluorite (CID 138633478) is [2-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-acridine]-10'-carbonyl)phenyl] thiohypofluorite.
What is the SMILES notation for [2-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-acridine]-10'-carbonyl)phenyl] thiohypofluorite?
The canonical SMILES for [2-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-acridine]-10'-carbonyl)phenyl] thiohypofluorite is O=C(c1ccccc1SF)N1c2ccc(-c3ccccc3)cc2C2(c3cc(-c4ccccc4)ccc31)c1ccccc1-n1c3ccccc3c3cccc2c31.
What is the InChIKey of [2-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-acridine]-10'-carbonyl)phenyl] thiohypofluorite?
The InChIKey is HGXKREUYUFSQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31FN2OS/c51-55-47-25-12-8-19-38(47)49(54)53-45-28-26-34(32-14-3-1-4-15-32)30-41(45)50(42-31-35(27-29-46(42)53)33-16-5-2-6-17-33)39-21-9-11-24-44(39)52-43-23-10-7-18-36(43)37-20-13-22-40(50)48(37)52/h1-31H.
What are the key properties of [2-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-acridine]-10'-carbonyl)phenyl] thiohypofluorite?
[2-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-acridine]-10'-carbonyl)phenyl] thiohypofluorite has a molecular weight of 726.88 g/mol, XLogP of 13.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-acridine]-10'-carbonyl)phenyl] thiohypofluorite is sourced from PubChem (CID 138633478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).