2-(11a-methyl-11,11-diphenyl-4aH-benzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine

C57H41N3 — CID 163595504

IUPAC2-(11a-methyl-11,11-diphenyl-4aH-benzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESCC12C=CC=CC1c1cc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)n4)c3cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C57H41N3/c1-56-34-15-14-33-51(56)50-37-44-26-18-32-48(49(44)38-52(50)57(56,46-28-10-4-11-29-46)47-30-12-5-13-31-47)55-59-53(40-21-8-3-9-22-40)58-54(60-55)45-27-17-25-43(36-45)42-24-16-23-41(35-42)39-19-6-2-7-20-39/h2-38,51H,1H3
InChIKeyGTCIAMCSVDKKAT-UHFFFAOYSA-N
MW767.98 g/mol
LogP13.92
Rot. Bonds7

About 2-(11a-methyl-11,11-diphenyl-4aH-benzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine

2-(11a-methyl-11,11-diphenyl-4aH-benzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 163595504) has the molecular formula C57H41N3 and a molecular weight of 767.98 g/mol. Its IUPAC name is 2-(11a-methyl-11,11-diphenyl-4aH-benzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(11a-methyl-11,11-diphenyl-4aH-benzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID163595504
Molecular FormulaC57H41N3
Molecular Weight767.98 g/mol
Exact Mass767.33
IUPAC Name2-(11a-methyl-11,11-diphenyl-4aH-benzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESCC12C=CC=CC1c1cc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)n4)c3cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C57H41N3/c1-56-34-15-14-33-51(56)50-37-44-26-18-32-48(49(44)38-52(50)57(56,46-28-10-4-11-29-46)47-30-12-5-13-31-47)55-59-53(40-21-8-3-9-22-40)58-54(60-55)45-27-17-25-43(36-45)42-24-16-23-41(35-42)39-19-6-2-7-20-39/h2-38,51H,1H3
InChIKeyGTCIAMCSVDKKAT-UHFFFAOYSA-N
XLogP13.92
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.98
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155465629
2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155465363
2-(11,11-diphenylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155465435
2-[3-[2-(3,8a-dimethyl-9,9-diphenyl-4,4b-dihydro-3H-fluoren-2-yl)-3-methyl-3,4-dihydronaphthalen-1-yl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155416578
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine
CID 165151929
2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155465836
2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076693
2-(9a-methyl-5aH-dibenzothiophen-2-yl)-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 163705405
2-[3-(9,9-diphenylfluoren-4-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 146649016
2-[3-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 165152200
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669

Frequently Asked Questions

What is the IUPAC name of 2-(11a-methyl-11,11-diphenyl-4aH-benzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(11a-methyl-11,11-diphenyl-4aH-benzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine (CID 163595504) is 2-(11a-methyl-11,11-diphenyl-4aH-benzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(11a-methyl-11,11-diphenyl-4aH-benzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(11a-methyl-11,11-diphenyl-4aH-benzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine is CC12C=CC=CC1c1cc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)n4)c3cc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(11a-methyl-11,11-diphenyl-4aH-benzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is GTCIAMCSVDKKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N3/c1-56-34-15-14-33-51(56)50-37-44-26-18-32-48(49(44)38-52(50)57(56,46-28-10-4-11-29-46)47-30-12-5-13-31-47)55-59-53(40-21-8-3-9-22-40)58-54(60-55)45-27-17-25-43(36-45)42-24-16-23-41(35-42)39-19-6-2-7-20-39/h2-38,51H,1H3.
What are the key properties of 2-(11a-methyl-11,11-diphenyl-4aH-benzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
2-(11a-methyl-11,11-diphenyl-4aH-benzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 767.98 g/mol, XLogP of 13.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11a-methyl-11,11-diphenyl-4aH-benzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 163595504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).