N-(3-fluorospiro[fluorene-9,9'-thioxanthene]-2'-yl)-N,5-diphenyl-6H-phenanthridin-8-amine

C50H33FN2S — CID 170049237

IUPACN-(3-fluorospiro[fluorene-9,9'-thioxanthene]-2'-yl)-N,5-diphenyl-6H-phenanthridin-8-amine
SMILESFc1ccc2c(c1)-c1ccccc1C21c2ccccc2Sc2ccc(N(c3ccccc3)c3ccc4c(c3)CN(c3ccccc3)c3ccccc3-4)cc21
InChIInChI=1S/C50H33FN2S/c51-34-23-27-44-42(30-34)40-17-7-9-19-43(40)50(44)45-20-10-12-22-48(45)54-49-28-25-38(31-46(49)50)53(36-15-5-2-6-16-36)37-24-26-39-33(29-37)32-52(35-13-3-1-4-14-35)47-21-11-8-18-41(39)47/h1-31H,32H2
InChIKeyDACMNMFVGZVWQY-UHFFFAOYSA-N
MW712.89 g/mol
LogP13.44
Rot. Bonds4

About N-(3-fluorospiro[fluorene-9,9'-thioxanthene]-2'-yl)-N,5-diphenyl-6H-phenanthridin-8-amine

N-(3-fluorospiro[fluorene-9,9'-thioxanthene]-2'-yl)-N,5-diphenyl-6H-phenanthridin-8-amine (PubChem CID 170049237) has the molecular formula C50H33FN2S and a molecular weight of 712.89 g/mol. Its IUPAC name is N-(3-fluorospiro[fluorene-9,9'-thioxanthene]-2'-yl)-N,5-diphenyl-6H-phenanthridin-8-amine.

Molecular Properties

Compound NameN-(3-fluorospiro[fluorene-9,9'-thioxanthene]-2'-yl)-N,5-diphenyl-6H-phenanthridin-8-amine
PubChem CID170049237
Molecular FormulaC50H33FN2S
Molecular Weight712.89 g/mol
Exact Mass712.23
IUPAC NameN-(3-fluorospiro[fluorene-9,9'-thioxanthene]-2'-yl)-N,5-diphenyl-6H-phenanthridin-8-amine
SMILESFc1ccc2c(c1)-c1ccccc1C21c2ccccc2Sc2ccc(N(c3ccccc3)c3ccc4c(c3)CN(c3ccccc3)c3ccccc3-4)cc21
InChIInChI=1S/C50H33FN2S/c51-34-23-27-44-42(30-34)40-17-7-9-19-43(40)50(44)45-20-10-12-22-48(45)54-49-28-25-38(31-46(49)50)53(36-15-5-2-6-16-36)37-24-26-39-33(29-37)32-52(35-13-3-1-4-14-35)47-21-11-8-18-41(39)47/h1-31H,32H2
InChIKeyDACMNMFVGZVWQY-UHFFFAOYSA-N
XLogP13.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.89
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorospiro[fluorene-9,9'-thioxanthene]-2'-yl)-N,5-diphenyl-6H-phenanthridin-8-amine?
The IUPAC name of N-(3-fluorospiro[fluorene-9,9'-thioxanthene]-2'-yl)-N,5-diphenyl-6H-phenanthridin-8-amine (CID 170049237) is N-(3-fluorospiro[fluorene-9,9'-thioxanthene]-2'-yl)-N,5-diphenyl-6H-phenanthridin-8-amine.
What is the SMILES notation for N-(3-fluorospiro[fluorene-9,9'-thioxanthene]-2'-yl)-N,5-diphenyl-6H-phenanthridin-8-amine?
The canonical SMILES for N-(3-fluorospiro[fluorene-9,9'-thioxanthene]-2'-yl)-N,5-diphenyl-6H-phenanthridin-8-amine is Fc1ccc2c(c1)-c1ccccc1C21c2ccccc2Sc2ccc(N(c3ccccc3)c3ccc4c(c3)CN(c3ccccc3)c3ccccc3-4)cc21.
What is the InChIKey of N-(3-fluorospiro[fluorene-9,9'-thioxanthene]-2'-yl)-N,5-diphenyl-6H-phenanthridin-8-amine?
The InChIKey is DACMNMFVGZVWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33FN2S/c51-34-23-27-44-42(30-34)40-17-7-9-19-43(40)50(44)45-20-10-12-22-48(45)54-49-28-25-38(31-46(49)50)53(36-15-5-2-6-16-36)37-24-26-39-33(29-37)32-52(35-13-3-1-4-14-35)47-21-11-8-18-41(39)47/h1-31H,32H2.
What are the key properties of N-(3-fluorospiro[fluorene-9,9'-thioxanthene]-2'-yl)-N,5-diphenyl-6H-phenanthridin-8-amine?
N-(3-fluorospiro[fluorene-9,9'-thioxanthene]-2'-yl)-N,5-diphenyl-6H-phenanthridin-8-amine has a molecular weight of 712.89 g/mol, XLogP of 13.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorospiro[fluorene-9,9'-thioxanthene]-2'-yl)-N,5-diphenyl-6H-phenanthridin-8-amine is sourced from PubChem (CID 170049237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).