2-cyclohepta-1,3,6-trien-1-yl-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine

C29H21N3 — CID 167223526

IUPAC2-cyclohepta-1,3,6-trien-1-yl-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CCC=CC(c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C4)n2)=C1
InChIInChI=1S/C29H21N3/c1-2-5-12-20(11-4-1)27-30-28(21-13-6-3-7-14-21)32-29(31-27)25-18-10-16-23-19-22-15-8-9-17-24(22)26(23)25/h1,3-18H,2,19H2
InChIKeyFCRWQNZXVQYPDR-UHFFFAOYSA-N
MW411.51 g/mol
LogP6.68
Rot. Bonds3

About 2-cyclohepta-1,3,6-trien-1-yl-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine

2-cyclohepta-1,3,6-trien-1-yl-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine (PubChem CID 167223526) has the molecular formula C29H21N3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-cyclohepta-1,3,6-trien-1-yl-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohepta-1,3,6-trien-1-yl-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine
PubChem CID167223526
Molecular FormulaC29H21N3
Molecular Weight411.51 g/mol
Exact Mass411.17
IUPAC Name2-cyclohepta-1,3,6-trien-1-yl-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CCC=CC(c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C4)n2)=C1
InChIInChI=1S/C29H21N3/c1-2-5-12-20(11-4-1)27-30-28(21-13-6-3-7-14-21)32-29(31-27)25-18-10-16-23-19-22-15-8-9-17-24(22)26(23)25/h1,3-18H,2,19H2
InChIKeyFCRWQNZXVQYPDR-UHFFFAOYSA-N
XLogP6.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 147440229
2-cyclohepta-1,3,6-trien-1-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 142515513
2-[2-(9H-fluoren-4-yl)-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 146886116
ethane;2-(9H-fluoren-4-yl)-4,6-dimethyl-1,3,5-triazine
CID 165000125
9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 143043863
4-cyclohepta-1,3,6-trien-1-yl-2-[9-(cyclohepten-1-yl)-9-pyridin-4-ylfluoren-4-yl]-6-phenylpyrimidine
CID 142385368
2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171052479
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 122423525
2-[3-(9H-fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158076538
2-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-5-yl)-4,6-diphenyl-1,3,5-triazine
CID 134218170
ethane;3-(3-phenylphenyl)cyclohepta-1,3,5-triene
CID 144739295
12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163768315

Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-1,3,6-trien-1-yl-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-cyclohepta-1,3,6-trien-1-yl-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine (CID 167223526) is 2-cyclohepta-1,3,6-trien-1-yl-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohepta-1,3,6-trien-1-yl-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-cyclohepta-1,3,6-trien-1-yl-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine is C1=CCC=CC(c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C4)n2)=C1.
What is the InChIKey of 2-cyclohepta-1,3,6-trien-1-yl-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is FCRWQNZXVQYPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3/c1-2-5-12-20(11-4-1)27-30-28(21-13-6-3-7-14-21)32-29(31-27)25-18-10-16-23-19-22-15-8-9-17-24(22)26(23)25/h1,3-18H,2,19H2.
What are the key properties of 2-cyclohepta-1,3,6-trien-1-yl-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine?
2-cyclohepta-1,3,6-trien-1-yl-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 411.51 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-1,3,6-trien-1-yl-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167223526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).