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

C46H35N3 — CID 174245608

IUPAC4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESCC1(C)c2cc(-c3cccc(-c4cccc(C5=NC(c6ccccc6)NC(c6ccccc6)=N5)c4)c3)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C46H35N3/c1-46(2)41-29-37(23-24-39(41)40-27-35-17-9-10-18-36(35)28-42(40)46)33-20-11-19-32(25-33)34-21-12-22-38(26-34)45-48-43(30-13-5-3-6-14-30)47-44(49-45)31-15-7-4-8-16-31/h3-29,43H,1-2H3,(H,47,48,49)
InChIKeyIFNQMEPXIOMQKN-UHFFFAOYSA-N
MW629.81 g/mol
LogP10.98
Rot. Bonds5

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

4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 174245608) has the molecular formula C46H35N3 and a molecular weight of 629.81 g/mol. Its IUPAC name is 4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
PubChem CID174245608
Molecular FormulaC46H35N3
Molecular Weight629.81 g/mol
Exact Mass629.28
IUPAC Name4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESCC1(C)c2cc(-c3cccc(-c4cccc(C5=NC(c6ccccc6)NC(c6ccccc6)=N5)c4)c3)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C46H35N3/c1-46(2)41-29-37(23-24-39(41)40-27-35-17-9-10-18-36(35)28-42(40)46)33-20-11-19-32(25-33)34-21-12-22-38(26-34)45-48-43(30-13-5-3-6-14-30)47-44(49-45)31-15-7-4-8-16-31/h3-29,43H,1-2H3,(H,47,48,49)
InChIKeyIFNQMEPXIOMQKN-UHFFFAOYSA-N
XLogP10.98
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.81
LogP ≤ 510.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170411210
2-phenyl-4-(4-phenylphenyl)-6-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,5-triazine
CID 88890940
4,6-bis(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine;10-[9,9-dimethyl-7-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)fluoren-2-yl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;2-[18-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl]-4,6-diphenyl-1,3,5-triazine;10-naphthalen-1-yl-18-(18-naphthalen-1-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene;10-naphthalen-2-yl-18-(18-naphthalen-2-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene;2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;10-[4-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 160579012
9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-naphthalen-2-yl-6-(3-phenanthren-9-ylphenyl)carbazole
CID 137213155
4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 166995315
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
10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 137217473
4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline
CID 154940521
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163493770
2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154614028
2,4-diphenyl-6-[3-[3-[2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]phenyl]-1,3,5-triazine
CID 166022884
4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 154940466

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (CID 174245608) is 4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is CC1(C)c2cc(-c3cccc(-c4cccc(C5=NC(c6ccccc6)NC(c6ccccc6)=N5)c4)c3)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of 4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is IFNQMEPXIOMQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N3/c1-46(2)41-29-37(23-24-39(41)40-27-35-17-9-10-18-36(35)28-42(40)46)33-20-11-19-32(25-33)34-21-12-22-38(26-34)45-48-43(30-13-5-3-6-14-30)47-44(49-45)31-15-7-4-8-16-31/h3-29,43H,1-2H3,(H,47,48,49).
What are the key properties of 4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 629.81 g/mol, XLogP of 10.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 174245608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).