2-(11,11-dimethylbenzo[a]fluoren-9-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

C45H32N4 — CID 146632852

IUPAC2-(11,11-dimethylbenzo[a]fluoren-9-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C45H32N4/c1-45(2)40-27-35(22-23-38(40)39-24-21-31-12-6-7-16-37(31)41(39)45)44-48-42(32-19-17-30(18-20-32)36-15-9-25-46-28-36)47-43(49-44)34-14-8-13-33(26-34)29-10-4-3-5-11-29/h3-28H,1-2H3
InChIKeyQAVVHVKROUBSLK-UHFFFAOYSA-N
MW628.78 g/mol
LogP11.06
Rot. Bonds5

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

2-(11,11-dimethylbenzo[a]fluoren-9-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 146632852) has the molecular formula C45H32N4 and a molecular weight of 628.78 g/mol. Its IUPAC name is 2-(11,11-dimethylbenzo[a]fluoren-9-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(11,11-dimethylbenzo[a]fluoren-9-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID146632852
Molecular FormulaC45H32N4
Molecular Weight628.78 g/mol
Exact Mass628.26
IUPAC Name2-(11,11-dimethylbenzo[a]fluoren-9-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C45H32N4/c1-45(2)40-27-35(22-23-38(40)39-24-21-31-12-6-7-16-37(31)41(39)45)44-48-42(32-19-17-30(18-20-32)36-15-9-25-46-28-36)47-43(49-44)34-14-8-13-33(26-34)29-10-4-3-5-11-29/h3-28H,1-2H3
InChIKeyQAVVHVKROUBSLK-UHFFFAOYSA-N
XLogP11.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632378
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632536
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-11,11-dimethylbenzo[a]fluorene-2-carbonitrile
CID 171421382
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine
CID 162140385
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[3-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 161311326
4-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168776871
11,11-dimethyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyridin-3-ylphenyl]benzo[a]fluorene-2-carbonitrile
CID 171421970
4-(11,11-dimethylbenzo[a]fluoren-9-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 146632846
4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 157173737
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-pyren-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130264881
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-pyren-1-yl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130264408
2-(9,9-dimethylfluoren-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-[4-[6-(4-pyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 171761031

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-dimethylbenzo[a]fluoren-9-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(11,11-dimethylbenzo[a]fluoren-9-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (CID 146632852) is 2-(11,11-dimethylbenzo[a]fluoren-9-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(11,11-dimethylbenzo[a]fluoren-9-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(11,11-dimethylbenzo[a]fluoren-9-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is CC1(C)c2cc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)ccc2-c2ccc3ccccc3c21.
What is the InChIKey of 2-(11,11-dimethylbenzo[a]fluoren-9-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is QAVVHVKROUBSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4/c1-45(2)40-27-35(22-23-38(40)39-24-21-31-12-6-7-16-37(31)41(39)45)44-48-42(32-19-17-30(18-20-32)36-15-9-25-46-28-36)47-43(49-44)34-14-8-13-33(26-34)29-10-4-3-5-11-29/h3-28H,1-2H3.
What are the key properties of 2-(11,11-dimethylbenzo[a]fluoren-9-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
2-(11,11-dimethylbenzo[a]fluoren-9-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 628.78 g/mol, XLogP of 11.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-dimethylbenzo[a]fluoren-9-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146632852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).