4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine

C55H43N3 — CID 145377617

IUPAC4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4cccc5c4-c4ccccc4C5(C)C)c(C4N=C(c5ccccc5)NC(c5cccc6ccccc56)=N4)c3)cccc21
InChIInChI=1S/C55H43N3/c1-54(2)45-27-12-10-22-42(45)49-38(24-15-29-47(49)54)36-31-32-39(40-25-16-30-48-50(40)43-23-11-13-28-46(43)55(48,3)4)44(33-36)53-57-51(35-18-6-5-7-19-35)56-52(58-53)41-26-14-20-34-17-8-9-21-37(34)41/h5-33,53H,1-4H3,(H,56,57,58)
InChIKeyHYMHHACPLAYQAY-UHFFFAOYSA-N
MW745.97 g/mol
LogP13.28
Rot. Bonds5

About 4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine

4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 145377617) has the molecular formula C55H43N3 and a molecular weight of 745.97 g/mol. Its IUPAC name is 4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
PubChem CID145377617
Molecular FormulaC55H43N3
Molecular Weight745.97 g/mol
Exact Mass745.35
IUPAC Name4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4cccc5c4-c4ccccc4C5(C)C)c(C4N=C(c5ccccc5)NC(c5cccc6ccccc56)=N4)c3)cccc21
InChIInChI=1S/C55H43N3/c1-54(2)45-27-12-10-22-42(45)49-38(24-15-29-47(49)54)36-31-32-39(40-25-16-30-48-50(40)43-23-11-13-28-46(43)55(48,3)4)44(33-36)53-57-51(35-18-6-5-7-19-35)56-52(58-53)41-26-14-20-34-17-8-9-21-37(34)41/h5-33,53H,1-4H3,(H,56,57,58)
InChIKeyHYMHHACPLAYQAY-UHFFFAOYSA-N
XLogP13.28
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.97
LogP ≤ 513.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961011
2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 146495104
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167196177
5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 139314510
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170410013
9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 171743014
4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170410125
2-[5-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[8-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluoren-2-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 160631923
2-naphthalen-1-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030014
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165151106
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 155372418

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine (CID 145377617) is 4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3ccc(-c4cccc5c4-c4ccccc4C5(C)C)c(C4N=C(c5ccccc5)NC(c5cccc6ccccc56)=N4)c3)cccc21.
What is the InChIKey of 4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is HYMHHACPLAYQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N3/c1-54(2)45-27-12-10-22-42(45)49-38(24-15-29-47(49)54)36-31-32-39(40-25-16-30-48-50(40)43-23-11-13-28-46(43)55(48,3)4)44(33-36)53-57-51(35-18-6-5-7-19-35)56-52(58-53)41-26-14-20-34-17-8-9-21-37(34)41/h5-33,53H,1-4H3,(H,56,57,58).
What are the key properties of 4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine?
4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 745.97 g/mol, XLogP of 13.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 145377617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).