2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C55H41N3 — CID 142504685

IUPAC2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc31)c1cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c1C1C=CC=CC12
InChIInChI=1S/C55H41N3/c1-54(2)45-23-11-13-25-47(45)55(48-26-14-12-24-46(48)54)44-22-10-9-20-43(44)50-42(21-15-27-49(50)55)38-30-34-41(35-31-38)53-57-51(39-18-7-4-8-19-39)56-52(58-53)40-32-28-37(29-33-40)36-16-5-3-6-17-36/h3-35,43-44H,1-2H3
InChIKeyFEXUHXAAVLNJKW-UHFFFAOYSA-N
MW743.95 g/mol
LogP13.02
Rot. Bonds5

About 2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 142504685) has the molecular formula C55H41N3 and a molecular weight of 743.95 g/mol. Its IUPAC name is 2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID142504685
Molecular FormulaC55H41N3
Molecular Weight743.95 g/mol
Exact Mass743.33
IUPAC Name2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc31)c1cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c1C1C=CC=CC12
InChIInChI=1S/C55H41N3/c1-54(2)45-23-11-13-25-47(45)55(48-26-14-12-24-46(48)54)44-22-10-9-20-43(44)50-42(21-15-27-49(50)55)38-30-34-41(35-31-38)53-57-51(39-18-7-4-8-19-39)56-52(58-53)40-32-28-37(29-33-40)36-16-5-3-6-17-36/h3-35,43-44H,1-2H3
InChIKeyFEXUHXAAVLNJKW-UHFFFAOYSA-N
XLogP13.02
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.95
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-4-yl-1,3,5-triazine
CID 153159558
2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 174292900
5-bromo-9',9'-dimethylspiro[4a,9a-dihydrofluorene-9,10'-anthracene]
CID 142480766
2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9,10,10-tetramethylanthracen-1-yl)phenyl]-1,3,5-triazine
CID 171748927
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153302560
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 153302614
2,4-diphenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 139549753
2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine
CID 123333479
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142504402

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 142504685) is 2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2C2(c3ccccc31)c1cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c1C1C=CC=CC12.
What is the InChIKey of 2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is FEXUHXAAVLNJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N3/c1-54(2)45-23-11-13-25-47(45)55(48-26-14-12-24-46(48)54)44-22-10-9-20-43(44)50-42(21-15-27-49(50)55)38-30-34-41(35-31-38)53-57-51(39-18-7-4-8-19-39)56-52(58-53)40-32-28-37(29-33-40)36-16-5-3-6-17-36/h3-35,43-44H,1-2H3.
What are the key properties of 2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 743.95 g/mol, XLogP of 13.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 142504685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).