4-(4-fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine

C44H29FN2 — CID 134253237

IUPAC4-(4-fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4C=Cc4ccccc43)n2)cc1
InChIInChI=1S/C44H29FN2/c1-28-14-16-31(17-15-28)41-27-42(32-20-23-34(45)24-21-32)47-43(46-41)33-22-25-40-36(26-33)35-10-4-7-13-39(35)44(40)37-11-5-2-8-29(37)18-19-30-9-3-6-12-38(30)44/h2-27H,1H3
InChIKeyKWYZMTRMWNOKAV-UHFFFAOYSA-N
MW604.73 g/mol
LogP10.77
Rot. Bonds3

About 4-(4-fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine

4-(4-fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine (PubChem CID 134253237) has the molecular formula C44H29FN2 and a molecular weight of 604.73 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine
PubChem CID134253237
Molecular FormulaC44H29FN2
Molecular Weight604.73 g/mol
Exact Mass604.23
IUPAC Name4-(4-fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4C=Cc4ccccc43)n2)cc1
InChIInChI=1S/C44H29FN2/c1-28-14-16-31(17-15-28)41-27-42(32-20-23-34(45)24-21-32)47-43(46-41)33-22-25-40-36(26-33)35-10-4-7-13-39(35)44(40)37-11-5-2-8-29(37)18-19-30-9-3-6-12-38(30)44/h2-27H,1H3
InChIKeyKWYZMTRMWNOKAV-UHFFFAOYSA-N
XLogP10.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.73
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-(4-fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine (CID 134253237) is 4-(4-fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine is Cc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4C=Cc4ccccc43)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine?
The InChIKey is KWYZMTRMWNOKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29FN2/c1-28-14-16-31(17-15-28)41-27-42(32-20-23-34(45)24-21-32)47-43(46-41)33-22-25-40-36(26-33)35-10-4-7-13-39(35)44(40)37-11-5-2-8-29(37)18-19-30-9-3-6-12-38(30)44/h2-27H,1H3.
What are the key properties of 4-(4-fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine?
4-(4-fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine has a molecular weight of 604.73 g/mol, XLogP of 10.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(4-methylphenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine is sourced from PubChem (CID 134253237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).