2-phenyl-4-(4-phenylphenyl)-6-[4-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3,5-triazine

C58H37N3O — CID 129263874

IUPAC2-phenyl-4-(4-phenylphenyl)-6-[4-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccc7c(c6)C6(c8ccccc8Oc8ccccc86)c6ccccc6-7)c5)cc4)n3)cc2)cc1
InChIInChI=1S/C58H37N3O/c1-3-14-38(15-4-1)39-26-30-42(31-27-39)56-59-55(41-16-5-2-6-17-41)60-57(61-56)43-32-28-40(29-33-43)44-18-13-19-45(36-44)46-34-35-48-47-20-7-8-21-49(47)58(52(48)37-46)50-22-9-11-24-53(50)62-54-25-12-10-23-51(54)58/h1-37H
InChIKeyXQGSMMRKMBFNJI-UHFFFAOYSA-N
MW791.95 g/mol
LogP14.34
Rot. Bonds6

About 2-phenyl-4-(4-phenylphenyl)-6-[4-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3,5-triazine

2-phenyl-4-(4-phenylphenyl)-6-[4-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 129263874) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-[4-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-[4-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID129263874
Molecular FormulaC58H37N3O
Molecular Weight791.95 g/mol
Exact Mass791.29
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-[4-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccc7c(c6)C6(c8ccccc8Oc8ccccc86)c6ccccc6-7)c5)cc4)n3)cc2)cc1
InChIInChI=1S/C58H37N3O/c1-3-14-38(15-4-1)39-26-30-42(31-27-39)56-59-55(41-16-5-2-6-17-41)60-57(61-56)43-32-28-40(29-33-43)44-18-13-19-45(36-44)46-34-35-48-47-20-7-8-21-49(47)58(52(48)37-46)50-22-9-11-24-53(50)62-54-25-12-10-23-51(54)58/h1-37H
InChIKeyXQGSMMRKMBFNJI-UHFFFAOYSA-N
XLogP14.34
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[4-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[4-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3,5-triazine (CID 129263874) is 2-phenyl-4-(4-phenylphenyl)-6-[4-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-[4-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-[4-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccc7c(c6)C6(c8ccccc8Oc8ccccc86)c6ccccc6-7)c5)cc4)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-[4-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is XQGSMMRKMBFNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-3-14-38(15-4-1)39-26-30-42(31-27-39)56-59-55(41-16-5-2-6-17-41)60-57(61-56)43-32-28-40(29-33-43)44-18-13-19-45(36-44)46-34-35-48-47-20-7-8-21-49(47)58(52(48)37-46)50-22-9-11-24-53(50)62-54-25-12-10-23-51(54)58/h1-37H.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-[4-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3,5-triazine?
2-phenyl-4-(4-phenylphenyl)-6-[4-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 791.95 g/mol, XLogP of 14.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-[4-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 129263874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).