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

C48H35N3 — CID 166995315

IUPAC4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1cccc(C2=NC(c3ccc4ccccc4c3)NC(c3ccc4ccccc4c3)=N2)c1
InChIInChI=1S/C48H35N3/c1-48(2)41-21-10-9-20-40(41)44-42(48)29-34-16-7-8-19-39(34)43(44)35-17-11-18-36(28-35)45-49-46(37-24-22-30-12-3-5-14-32(30)26-37)51-47(50-45)38-25-23-31-13-4-6-15-33(31)27-38/h3-29,46H,1-2H3,(H,49,50,51)
InChIKeyYLYPUJUXTZLNNK-UHFFFAOYSA-N
MW653.83 g/mol
LogP11.61
Rot. Bonds4

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

4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine (PubChem CID 166995315) has the molecular formula C48H35N3 and a molecular weight of 653.83 g/mol. Its IUPAC name is 4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine
PubChem CID166995315
Molecular FormulaC48H35N3
Molecular Weight653.83 g/mol
Exact Mass653.28
IUPAC Name4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1cccc(C2=NC(c3ccc4ccccc4c3)NC(c3ccc4ccccc4c3)=N2)c1
InChIInChI=1S/C48H35N3/c1-48(2)41-21-10-9-20-40(41)44-42(48)29-34-16-7-8-19-39(34)43(44)35-17-11-18-36(28-35)45-49-46(37-24-22-30-12-3-5-14-32(30)26-37)51-47(50-45)38-25-23-31-13-4-6-15-33(31)27-38/h3-29,46H,1-2H3,(H,49,50,51)
InChIKeyYLYPUJUXTZLNNK-UHFFFAOYSA-N
XLogP11.61
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 511.61
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-naphthalen-2-yl-6-[3-phenanthren-2-yl-5-(4-pyridin-4-ylphenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine
CID 137256270
22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene
CID 137146113
4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 154940466
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167196177
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
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
2,5,8,11-tetrakis(11,11-dimethylbenzo[b]fluoren-5-yl)perylene
CID 58435360
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
12-[2-(4-naphthalen-2-yl-2-phenanthren-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)-9H-fluoren-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 167043446
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(8-phenyldibenzofuran-1-yl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 167030113
7,7-dimethyl-5-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 163434159

Frequently Asked Questions

What is the IUPAC name of 4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine (CID 166995315) is 4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine is CC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1cccc(C2=NC(c3ccc4ccccc4c3)NC(c3ccc4ccccc4c3)=N2)c1.
What is the InChIKey of 4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
The InChIKey is YLYPUJUXTZLNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3/c1-48(2)41-21-10-9-20-40(41)44-42(48)29-34-16-7-8-19-39(34)43(44)35-17-11-18-36(28-35)45-49-46(37-24-22-30-12-3-5-14-32(30)26-37)51-47(50-45)38-25-23-31-13-4-6-15-33(31)27-38/h3-29,46H,1-2H3,(H,49,50,51).
What are the key properties of 4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine has a molecular weight of 653.83 g/mol, XLogP of 11.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-2,6-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 166995315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).