2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine

C48H37N3Si — CID 170927930

IUPAC2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4ccc5c(c4)-c4ccccc4[Si]5(C)C)n3)cccc21
InChIInChI=1S/C48H37N3Si/c1-48(2)40-17-9-7-15-37(40)44-38(16-11-18-41(44)48)47-50-45(32-23-20-31(21-24-32)34-25-22-30-12-5-6-13-33(30)28-34)49-46(51-47)35-26-27-43-39(29-35)36-14-8-10-19-42(36)52(43,3)4/h5-29H,1-4H3
InChIKeyFNPLPSBHBGOIGS-UHFFFAOYSA-N
MW683.93 g/mol
LogP10.80
Rot. Bonds4

About 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine

2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine (PubChem CID 170927930) has the molecular formula C48H37N3Si and a molecular weight of 683.93 g/mol. Its IUPAC name is 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
PubChem CID170927930
Molecular FormulaC48H37N3Si
Molecular Weight683.93 g/mol
Exact Mass683.28
IUPAC Name2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4ccc5c(c4)-c4ccccc4[Si]5(C)C)n3)cccc21
InChIInChI=1S/C48H37N3Si/c1-48(2)40-17-9-7-15-37(40)44-38(16-11-18-41(44)48)47-50-45(32-23-20-31(21-24-32)34-25-22-30-12-5-6-13-33(30)28-34)49-46(51-47)35-26-27-43-39(29-35)36-14-8-10-19-42(36)52(43,3)4/h5-29H,1-4H3
InChIKeyFNPLPSBHBGOIGS-UHFFFAOYSA-N
XLogP10.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.93
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 170927879
2-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 158183224
2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 171592076
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155787296
2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118426885
2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 158183226
2-[3-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166565386
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole
CID 59195552
2-[4-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787156
2-(9,9-dimethylfluoren-4-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine
CID 163527458
2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine
CID 126543875

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine (CID 170927930) is 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4ccc5c(c4)-c4ccccc4[Si]5(C)C)n3)cccc21.
What is the InChIKey of 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The InChIKey is FNPLPSBHBGOIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N3Si/c1-48(2)40-17-9-7-15-37(40)44-38(16-11-18-41(44)48)47-50-45(32-23-20-31(21-24-32)34-25-22-30-12-5-6-13-33(30)28-34)49-46(51-47)35-26-27-43-39(29-35)36-14-8-10-19-42(36)52(43,3)4/h5-29H,1-4H3.
What are the key properties of 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine has a molecular weight of 683.93 g/mol, XLogP of 10.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170927930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).