2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine

C40H25N3 — CID 58233367

IUPAC2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C40H25N3/c1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-36-32(25-28)31-19-9-12-22-35(31)40(36)33-20-10-7-17-29(33)30-18-8-11-21-34(30)40/h1-25H
InChIKeyWXERYVSPWGUIQV-UHFFFAOYSA-N
MW547.66 g/mol
LogP9.22
Rot. Bonds3

About 2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine

2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine (PubChem CID 58233367) has the molecular formula C40H25N3 and a molecular weight of 547.66 g/mol. Its IUPAC name is 2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
PubChem CID58233367
Molecular FormulaC40H25N3
Molecular Weight547.66 g/mol
Exact Mass547.20
IUPAC Name2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C40H25N3/c1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-36-32(25-28)31-19-9-12-22-35(31)40(36)33-20-10-7-17-29(33)30-18-8-11-21-34(30)40/h1-25H
InChIKeyWXERYVSPWGUIQV-UHFFFAOYSA-N
XLogP9.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine (CID 58233367) is 2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine?
The InChIKey is WXERYVSPWGUIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3/c1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-36-32(25-28)31-19-9-12-22-35(31)40(36)33-20-10-7-17-29(33)30-18-8-11-21-34(30)40/h1-25H.
What are the key properties of 2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine?
2,4-diphenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine has a molecular weight of 547.66 g/mol, XLogP of 9.22, 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-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine is sourced from PubChem (CID 58233367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).