2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine

C46H33N3 — CID 155465629

IUPAC2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)n4)c3cc21
InChIInChI=1S/C46H33N3/c1-46(2)41-25-10-9-23-37(41)40-28-35-21-13-24-38(39(35)29-42(40)46)45-48-43(31-16-7-4-8-17-31)47-44(49-45)36-22-12-20-34(27-36)33-19-11-18-32(26-33)30-14-5-3-6-15-30/h3-29H,1-2H3
InChIKeyQNYAZSBUKJSCGS-UHFFFAOYSA-N
MW627.79 g/mol
LogP11.67
Rot. Bonds5

About 2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine

2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 155465629) has the molecular formula C46H33N3 and a molecular weight of 627.79 g/mol. Its IUPAC name is 2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID155465629
Molecular FormulaC46H33N3
Molecular Weight627.79 g/mol
Exact Mass627.27
IUPAC Name2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)n4)c3cc21
InChIInChI=1S/C46H33N3/c1-46(2)41-25-10-9-23-37(41)40-28-35-21-13-24-38(39(35)29-42(40)46)45-48-43(31-16-7-4-8-17-31)47-44(49-45)36-22-12-20-34(27-36)33-19-11-18-32(26-33)30-14-5-3-6-15-30/h3-29H,1-2H3
InChIKeyQNYAZSBUKJSCGS-UHFFFAOYSA-N
XLogP11.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155465363
2-(11,11-dimethylbenzo[b]fluoren-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-7-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-8-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-8-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157383875
2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 118426889
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216
bis(2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine);2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161026217
2-(11,11-diphenylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155465435
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139400666
2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine
CID 154614257
2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 130233115
2-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157236277
2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155465836

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine (CID 155465629) is 2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine is CC1(C)c2ccccc2-c2cc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)n4)c3cc21.
What is the InChIKey of 2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is QNYAZSBUKJSCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3/c1-46(2)41-25-10-9-23-37(41)40-28-35-21-13-24-38(39(35)29-42(40)46)45-48-43(31-16-7-4-8-17-31)47-44(49-45)36-22-12-20-34(27-36)33-19-11-18-32(26-33)30-14-5-3-6-15-30/h3-29H,1-2H3.
What are the key properties of 2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 627.79 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 155465629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).