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

C43H26F2N2 — CID 134253381

IUPAC4,6-bis(4-fluorophenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4C=Cc4ccccc43)n2)cc1
InChIInChI=1S/C43H26F2N2/c44-32-20-15-29(16-21-32)40-26-41(30-17-22-33(45)23-18-30)47-42(46-40)31-19-24-39-35(25-31)34-9-3-6-12-38(34)43(39)36-10-4-1-7-27(36)13-14-28-8-2-5-11-37(28)43/h1-26H
InChIKeyVWJHRTRXIPNRDO-UHFFFAOYSA-N
MW608.69 g/mol
LogP10.60
Rot. Bonds3

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

4,6-bis(4-fluorophenyl)-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 134253381) has the molecular formula C43H26F2N2 and a molecular weight of 608.69 g/mol. Its IUPAC name is 4,6-bis(4-fluorophenyl)-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 Name4,6-bis(4-fluorophenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine
PubChem CID134253381
Molecular FormulaC43H26F2N2
Molecular Weight608.69 g/mol
Exact Mass608.21
IUPAC Name4,6-bis(4-fluorophenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4C=Cc4ccccc43)n2)cc1
InChIInChI=1S/C43H26F2N2/c44-32-20-15-29(16-21-32)40-26-41(30-17-22-33(45)23-18-30)47-42(46-40)31-19-24-39-35(25-31)34-9-3-6-12-38(34)43(39)36-10-4-1-7-27(36)13-14-28-8-2-5-11-37(28)43/h1-26H
InChIKeyVWJHRTRXIPNRDO-UHFFFAOYSA-N
XLogP10.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.69
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,6-bis(4-fluorophenyl)-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 4,6-bis(4-fluorophenyl)-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 4,6-bis(4-fluorophenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine (CID 134253381) is 4,6-bis(4-fluorophenyl)-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 4,6-bis(4-fluorophenyl)-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 4,6-bis(4-fluorophenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine is Fc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4C=Cc4ccccc43)n2)cc1.
What is the InChIKey of 4,6-bis(4-fluorophenyl)-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 VWJHRTRXIPNRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26F2N2/c44-32-20-15-29(16-21-32)40-26-41(30-17-22-33(45)23-18-30)47-42(46-40)31-19-24-39-35(25-31)34-9-3-6-12-38(34)43(39)36-10-4-1-7-27(36)13-14-28-8-2-5-11-37(28)43/h1-26H.
What are the key properties of 4,6-bis(4-fluorophenyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylpyrimidine?
4,6-bis(4-fluorophenyl)-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 608.69 g/mol, XLogP of 10.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-fluorophenyl)-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 134253381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).