2-phenyl-4-(4-phenylphenyl)-6-[3-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,5,6-tetrahydropyrimidine

C59H42N2O — CID 129263627

IUPAC2-phenyl-4-(4-phenylphenyl)-6-[3-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,5,6-tetrahydropyrimidine
SMILESc1ccc(-c2ccc(C3=NC(c4ccccc4)NC(c4cccc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5cc(-c7ccccc7)ccc5-6)c4)C3)cc2)cc1
InChIInChI=1S/C59H42N2O/c1-4-15-39(16-5-1)41-27-29-42(30-28-41)54-38-55(61-58(60-54)43-19-8-3-9-20-43)47-22-14-21-44(35-47)46-32-34-49-48-33-31-45(40-17-6-2-7-18-40)36-52(48)59(53(49)37-46)50-23-10-12-25-56(50)62-57-26-13-11-24-51(57)59/h1-37,55,58,61H,38H2
InChIKeyMEZLZQLGXVTDGS-UHFFFAOYSA-N
MW795.00 g/mol
LogP14.38
Rot. Bonds6

About 2-phenyl-4-(4-phenylphenyl)-6-[3-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,5,6-tetrahydropyrimidine

2-phenyl-4-(4-phenylphenyl)-6-[3-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,5,6-tetrahydropyrimidine (PubChem CID 129263627) has the molecular formula C59H42N2O and a molecular weight of 795.00 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-[3-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-[3-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,5,6-tetrahydropyrimidine
PubChem CID129263627
Molecular FormulaC59H42N2O
Molecular Weight795.00 g/mol
Exact Mass794.33
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-[3-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,5,6-tetrahydropyrimidine
SMILESc1ccc(-c2ccc(C3=NC(c4ccccc4)NC(c4cccc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5cc(-c7ccccc7)ccc5-6)c4)C3)cc2)cc1
InChIInChI=1S/C59H42N2O/c1-4-15-39(16-5-1)41-27-29-42(30-28-41)54-38-55(61-58(60-54)43-19-8-3-9-20-43)47-22-14-21-44(35-47)46-32-34-49-48-33-31-45(40-17-6-2-7-18-40)36-52(48)59(53(49)37-46)50-23-10-12-25-56(50)62-57-26-13-11-24-51(57)59/h1-37,55,58,61H,38H2
InChIKeyMEZLZQLGXVTDGS-UHFFFAOYSA-N
XLogP14.38
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 514.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine
CID 153297845
8-[7-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline
CID 163570159
4-(17-phenylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene]-11-yl)pyridine
CID 134571333
2-phenyl-4-(3-phenylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571369
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
2,4-diphenyl-6-[3-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 129263235
4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine
CID 134303848
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728
4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine
CID 137388504
2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine
CID 129263795
4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146321879

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[3-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,5,6-tetrahydropyrimidine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[3-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,5,6-tetrahydropyrimidine (CID 129263627) is 2-phenyl-4-(4-phenylphenyl)-6-[3-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-[3-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-[3-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,5,6-tetrahydropyrimidine is c1ccc(-c2ccc(C3=NC(c4ccccc4)NC(c4cccc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5cc(-c7ccccc7)ccc5-6)c4)C3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-[3-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,5,6-tetrahydropyrimidine?
The InChIKey is MEZLZQLGXVTDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2O/c1-4-15-39(16-5-1)41-27-29-42(30-28-41)54-38-55(61-58(60-54)43-19-8-3-9-20-43)47-22-14-21-44(35-47)46-32-34-49-48-33-31-45(40-17-6-2-7-18-40)36-52(48)59(53(49)37-46)50-23-10-12-25-56(50)62-57-26-13-11-24-51(57)59/h1-37,55,58,61H,38H2.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-[3-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,5,6-tetrahydropyrimidine?
2-phenyl-4-(4-phenylphenyl)-6-[3-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,5,6-tetrahydropyrimidine has a molecular weight of 795.00 g/mol, XLogP of 14.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-[3-(7-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,5,6-tetrahydropyrimidine is sourced from PubChem (CID 129263627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).