2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine

C46H29N3O — CID 154596998

IUPAC2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc2-3)cc1
InChIInChI=1S/C46H29N3O/c1-4-15-30(16-5-1)33-27-28-34-35-21-14-22-36(45-48-43(31-17-6-2-7-18-31)47-44(49-45)32-19-8-3-9-20-32)42(35)46(39(34)29-33)37-23-10-12-25-40(37)50-41-26-13-11-24-38(41)46/h1-29H
InChIKeyDNQXRFMPJXVJQQ-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.01
Rot. Bonds4

About 2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine

2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine (PubChem CID 154596998) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine
PubChem CID154596998
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc2-3)cc1
InChIInChI=1S/C46H29N3O/c1-4-15-30(16-5-1)33-27-28-34-35-21-14-22-36(45-48-43(31-17-6-2-7-18-31)47-44(49-45)32-19-8-3-9-20-32)42(35)46(39(34)29-33)37-23-10-12-25-40(37)50-41-26-13-11-24-38(41)46/h1-29H
InChIKeyDNQXRFMPJXVJQQ-UHFFFAOYSA-N
XLogP11.01
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine
CID 153297678
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine
CID 153297845
2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 149001752
2-phenyl-4-(3-phenylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571369
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263
2-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297864
2-phenyl-4-(4-phenylphenyl)-6-(7-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 167178163
2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571454
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
CID 160749645
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-1'-ylphenyl)-1,3,5-triazine
CID 130379537
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine (CID 154596998) is 2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine is c1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc2-3)cc1.
What is the InChIKey of 2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine?
The InChIKey is DNQXRFMPJXVJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-4-15-30(16-5-1)33-27-28-34-35-21-14-22-36(45-48-43(31-17-6-2-7-18-31)47-44(49-45)32-19-8-3-9-20-32)42(35)46(39(34)29-33)37-23-10-12-25-40(37)50-41-26-13-11-24-38(41)46/h1-29H.
What are the key properties of 2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine?
2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine has a molecular weight of 639.76 g/mol, XLogP of 11.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine is sourced from PubChem (CID 154596998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).