6-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine

C46H36N4 — CID 136999350

IUPAC6-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESCc1ccc(-c2cc(C3=NC(c4ccccc4)=NC(c4ccccc4)N3)cc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)c2)cn1
InChIInChI=1S/C46H36N4/c1-29-22-23-32(28-47-29)33-24-34(39-27-41-42(37-19-11-10-18-36(37)39)38-20-12-13-21-40(38)46(41,2)3)26-35(25-33)45-49-43(30-14-6-4-7-15-30)48-44(50-45)31-16-8-5-9-17-31/h4-28,43H,1-3H3,(H,48,49,50)
InChIKeyKQFOYVWCJLSNKH-UHFFFAOYSA-N
MW644.82 g/mol
LogP10.68
Rot. Bonds5

About 6-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine

6-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 136999350) has the molecular formula C46H36N4 and a molecular weight of 644.82 g/mol. Its IUPAC name is 6-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
PubChem CID136999350
Molecular FormulaC46H36N4
Molecular Weight644.82 g/mol
Exact Mass644.29
IUPAC Name6-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESCc1ccc(-c2cc(C3=NC(c4ccccc4)=NC(c4ccccc4)N3)cc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)c2)cn1
InChIInChI=1S/C46H36N4/c1-29-22-23-32(28-47-29)33-24-34(39-27-41-42(37-19-11-10-18-36(37)39)38-20-12-13-21-40(38)46(41,2)3)26-35(25-33)45-49-43(30-14-6-4-7-15-30)48-44(50-45)31-16-8-5-9-17-31/h4-28,43H,1-3H3,(H,48,49,50)
InChIKeyKQFOYVWCJLSNKH-UHFFFAOYSA-N
XLogP10.68
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.82
LogP ≤ 510.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 137145017
4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 166995315
5-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine
CID 137208883
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[6-[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]carbazole
CID 126480816
4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 174245608
4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4-pyridin-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 122431231
4-[3-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 137437896
4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170411210
5-[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine
CID 137208878
4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline
CID 154940521
5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine
CID 129201152
6-[3-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-4-triphenylen-2-yl-1,2-dihydro-1,3,5-triazine
CID 174243644

Frequently Asked Questions

What is the IUPAC name of 6-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 6-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine (CID 136999350) is 6-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 6-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine is Cc1ccc(-c2cc(C3=NC(c4ccccc4)=NC(c4ccccc4)N3)cc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)c2)cn1.
What is the InChIKey of 6-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is KQFOYVWCJLSNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N4/c1-29-22-23-32(28-47-29)33-24-34(39-27-41-42(37-19-11-10-18-36(37)39)38-20-12-13-21-40(38)46(41,2)3)26-35(25-33)45-49-43(30-14-6-4-7-15-30)48-44(50-45)31-16-8-5-9-17-31/h4-28,43H,1-3H3,(H,48,49,50).
What are the key properties of 6-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine?
6-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 644.82 g/mol, XLogP of 10.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(6-methyl-3-pyridinyl)phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 136999350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).