2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine

C38H25N5 — CID 123333479

IUPAC2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine
SMILESC1=CC2c3ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc3C3(c4ccccc4-c4ccccc43)C2C=C1
InChIInChI=1S/C38H25N5/c1-4-14-29-25(11-1)26-12-2-5-15-30(26)38(29)31-16-6-3-13-27(31)28-20-19-24(23-32(28)38)35-41-36(33-17-7-9-21-39-33)43-37(42-35)34-18-8-10-22-40-34/h1-23,27,31H
InChIKeyJBNMSXRAEYTGCJ-UHFFFAOYSA-N
MW551.65 g/mol
LogP7.82
Rot. Bonds3

About 2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine

2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine (PubChem CID 123333479) has the molecular formula C38H25N5 and a molecular weight of 551.65 g/mol. Its IUPAC name is 2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine
PubChem CID123333479
Molecular FormulaC38H25N5
Molecular Weight551.65 g/mol
Exact Mass551.21
IUPAC Name2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine
SMILESC1=CC2c3ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc3C3(c4ccccc4-c4ccccc43)C2C=C1
InChIInChI=1S/C38H25N5/c1-4-14-29-25(11-1)26-12-2-5-15-30(26)38(29)31-16-6-3-13-27(31)28-20-19-24(23-32(28)38)35-41-36(33-17-7-9-21-39-33)43-37(42-35)34-18-8-10-22-40-34/h1-23,27,31H
InChIKeyJBNMSXRAEYTGCJ-UHFFFAOYSA-N
XLogP7.82
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-(7-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-3-yl)-1,3,5-triazine
CID 166953099
2,4-diphenyl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-4-yl-1,3,5-triazine
CID 153159558
2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 155443428
2,4-diphenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 139549753
2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155442764
2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine
CID 126546621
6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-dimethylfluoren-2-yl)-2-(4-pyridin-2-ylphenyl)benzo[h]quinoline
CID 121441172
2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-[4-(6-methylnaphthalen-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 130180840
4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 155442583
2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 174292900
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155443037
2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 167178263

Frequently Asked Questions

What is the IUPAC name of 2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine?
The IUPAC name of 2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine (CID 123333479) is 2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine?
The canonical SMILES for 2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine is C1=CC2c3ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc3C3(c4ccccc4-c4ccccc43)C2C=C1.
What is the InChIKey of 2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine?
The InChIKey is JBNMSXRAEYTGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5/c1-4-14-29-25(11-1)26-12-2-5-15-30(26)38(29)31-16-6-3-13-27(31)28-20-19-24(23-32(28)38)35-41-36(33-17-7-9-21-39-33)43-37(42-35)34-18-8-10-22-40-34/h1-23,27,31H.
What are the key properties of 2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine?
2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine has a molecular weight of 551.65 g/mol, XLogP of 7.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine is sourced from PubChem (CID 123333479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).