2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine

C41H26N2O — CID 139306316

IUPAC2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C41H26N2O/c1-3-13-27(14-4-1)36-26-37(43-40(42-36)28-15-5-2-6-16-28)29-23-24-31-30-17-7-8-18-32(30)41(35(31)25-29)33-19-9-11-21-38(33)44-39-22-12-10-20-34(39)41/h1-26H
InChIKeySDKSDWOONHQVQM-UHFFFAOYSA-N
MW562.67 g/mol
LogP9.95
Rot. Bonds3

About 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine

2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine (PubChem CID 139306316) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
PubChem CID139306316
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC Name2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C41H26N2O/c1-3-13-27(14-4-1)36-26-37(43-40(42-36)28-15-5-2-6-16-28)29-23-24-31-30-17-7-8-18-32(30)41(35(31)25-29)33-19-9-11-21-38(33)44-39-22-12-10-20-34(39)41/h1-26H
InChIKeySDKSDWOONHQVQM-UHFFFAOYSA-N
XLogP9.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 155443385
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 155305190
4-phenyl-2-[4-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 88557841
2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
2-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297722
2-phenyl-4-[11-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine
CID 165150791
2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
CID 166650929
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137388687

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine?
The IUPAC name of 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine (CID 139306316) is 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine?
The canonical SMILES for 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine is c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine?
The InChIKey is SDKSDWOONHQVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-3-13-27(14-4-1)36-26-37(43-40(42-36)28-15-5-2-6-16-28)29-23-24-31-30-17-7-8-18-32(30)41(35(31)25-29)33-19-9-11-21-38(33)44-39-22-12-10-20-34(39)41/h1-26H.
What are the key properties of 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine?
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine has a molecular weight of 562.67 g/mol, XLogP of 9.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine is sourced from PubChem (CID 139306316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).