2,4-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)pyrimidine

C46H32N2 — CID 58814371

IUPAC2,4-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)pyrimidine
SMILESc1ccc2c(c1)CC1(C2)c2ccccc2-c2ccc(-c3ccnc(-c4ccc5c(c4)C4(Cc6ccccc6C4)c4ccccc4-5)n3)cc21
InChIInChI=1S/C46H32N2/c1-2-10-32-26-45(25-31(32)9-1)39-15-7-5-13-35(39)37-19-17-29(23-41(37)45)43-21-22-47-44(48-43)30-18-20-38-36-14-6-8-16-40(36)46(42(38)24-30)27-33-11-3-4-12-34(33)28-46/h1-24H,25-28H2
InChIKeySHQHQSZAFUTZJU-UHFFFAOYSA-N
MW612.78 g/mol
LogP9.94
Rot. Bonds2

About 2,4-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)pyrimidine

2,4-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)pyrimidine (PubChem CID 58814371) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 2,4-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)pyrimidine.

Molecular Properties

Compound Name2,4-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)pyrimidine
PubChem CID58814371
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC Name2,4-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)pyrimidine
SMILESc1ccc2c(c1)CC1(C2)c2ccccc2-c2ccc(-c3ccnc(-c4ccc5c(c4)C4(Cc6ccccc6C4)c4ccccc4-5)n3)cc21
InChIInChI=1S/C46H32N2/c1-2-10-32-26-45(25-31(32)9-1)39-15-7-5-13-35(39)37-19-17-29(23-41(37)45)43-21-22-47-44(48-43)30-18-20-38-36-14-6-8-16-40(36)46(42(38)24-30)27-33-11-3-4-12-34(33)28-46/h1-24H,25-28H2
InChIKeySHQHQSZAFUTZJU-UHFFFAOYSA-N
XLogP9.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)pyrimidine?
The IUPAC name of 2,4-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)pyrimidine (CID 58814371) is 2,4-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)pyrimidine.
What is the SMILES notation for 2,4-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)pyrimidine?
The canonical SMILES for 2,4-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)pyrimidine is c1ccc2c(c1)CC1(C2)c2ccccc2-c2ccc(-c3ccnc(-c4ccc5c(c4)C4(Cc6ccccc6C4)c4ccccc4-5)n3)cc21.
What is the InChIKey of 2,4-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)pyrimidine?
The InChIKey is SHQHQSZAFUTZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-2-10-32-26-45(25-31(32)9-1)39-15-7-5-13-35(39)37-19-17-29(23-41(37)45)43-21-22-47-44(48-43)30-18-20-38-36-14-6-8-16-40(36)46(42(38)24-30)27-33-11-3-4-12-34(33)28-46/h1-24H,25-28H2.
What are the key properties of 2,4-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)pyrimidine?
2,4-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)pyrimidine has a molecular weight of 612.78 g/mol, XLogP of 9.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)pyrimidine is sourced from PubChem (CID 58814371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).