4-(2-naphthalen-1-ylphenyl)-2-phenyl-6-[2'-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine

C59H34F6N2O2 — CID 166811484

IUPAC4-(2-naphthalen-1-ylphenyl)-2-phenyl-6-[2'-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine
SMILESFC(F)(F)Oc1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3cc(-c4cc(-c5ccccc5-c5cccc6ccccc56)nc(-c5ccccc5)n4)ccc3-c3c(C(F)(F)F)cccc32)cc1
InChIInChI=1S/C59H34F6N2O2/c60-58(61,62)48-22-11-21-47-55(48)45-30-26-39(33-49(45)57(47)46-20-8-9-23-53(46)68-54-31-27-38(32-50(54)57)35-24-28-40(29-25-35)69-59(63,64)65)51-34-52(67-56(66-51)37-13-2-1-3-14-37)44-18-7-6-17-43(44)42-19-10-15-36-12-4-5-16-41(36)42/h1-34H
InChIKeyBFWAZSDMRRXLNX-UHFFFAOYSA-N
MW916.92 g/mol
LogP16.35
Rot. Bonds6

About 4-(2-naphthalen-1-ylphenyl)-2-phenyl-6-[2'-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine

4-(2-naphthalen-1-ylphenyl)-2-phenyl-6-[2'-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine (PubChem CID 166811484) has the molecular formula C59H34F6N2O2 and a molecular weight of 916.92 g/mol. Its IUPAC name is 4-(2-naphthalen-1-ylphenyl)-2-phenyl-6-[2'-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine.

Molecular Properties

Compound Name4-(2-naphthalen-1-ylphenyl)-2-phenyl-6-[2'-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine
PubChem CID166811484
Molecular FormulaC59H34F6N2O2
Molecular Weight916.92 g/mol
Exact Mass916.25
IUPAC Name4-(2-naphthalen-1-ylphenyl)-2-phenyl-6-[2'-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine
SMILESFC(F)(F)Oc1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3cc(-c4cc(-c5ccccc5-c5cccc6ccccc56)nc(-c5ccccc5)n4)ccc3-c3c(C(F)(F)F)cccc32)cc1
InChIInChI=1S/C59H34F6N2O2/c60-58(61,62)48-22-11-21-47-55(48)45-30-26-39(33-49(45)57(47)46-20-8-9-23-53(46)68-54-31-27-38(32-50(54)57)35-24-28-40(29-25-35)69-59(63,64)65)51-34-52(67-56(66-51)37-13-2-1-3-14-37)44-18-7-6-17-43(44)42-19-10-15-36-12-4-5-16-41(36)42/h1-34H
InChIKeyBFWAZSDMRRXLNX-UHFFFAOYSA-N
XLogP16.35
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.92
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-naphthalen-1-ylphenyl)-2-phenyl-6-[2'-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine?
The IUPAC name of 4-(2-naphthalen-1-ylphenyl)-2-phenyl-6-[2'-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine (CID 166811484) is 4-(2-naphthalen-1-ylphenyl)-2-phenyl-6-[2'-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine.
What is the SMILES notation for 4-(2-naphthalen-1-ylphenyl)-2-phenyl-6-[2'-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine?
The canonical SMILES for 4-(2-naphthalen-1-ylphenyl)-2-phenyl-6-[2'-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine is FC(F)(F)Oc1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3cc(-c4cc(-c5ccccc5-c5cccc6ccccc56)nc(-c5ccccc5)n4)ccc3-c3c(C(F)(F)F)cccc32)cc1.
What is the InChIKey of 4-(2-naphthalen-1-ylphenyl)-2-phenyl-6-[2'-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine?
The InChIKey is BFWAZSDMRRXLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34F6N2O2/c60-58(61,62)48-22-11-21-47-55(48)45-30-26-39(33-49(45)57(47)46-20-8-9-23-53(46)68-54-31-27-38(32-50(54)57)35-24-28-40(29-25-35)69-59(63,64)65)51-34-52(67-56(66-51)37-13-2-1-3-14-37)44-18-7-6-17-43(44)42-19-10-15-36-12-4-5-16-41(36)42/h1-34H.
What are the key properties of 4-(2-naphthalen-1-ylphenyl)-2-phenyl-6-[2'-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine?
4-(2-naphthalen-1-ylphenyl)-2-phenyl-6-[2'-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine has a molecular weight of 916.92 g/mol, XLogP of 16.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-naphthalen-1-ylphenyl)-2-phenyl-6-[2'-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]-2-yl]pyrimidine is sourced from PubChem (CID 166811484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).