2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-yl-4,4a,5,6-tetrahydronaphthalen-1-yl)-1,3,5-triazine

C43H31N3O2 — CID 170145737

IUPAC2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-yl-4,4a,5,6-tetrahydronaphthalen-1-yl)-1,3,5-triazine
SMILESC1=CC(c2nc(C3=C4C=CCCC4C(c4cccc5oc6ccccc6c45)C=C3)nc(-c3ccc4oc5ccccc5c4c3)n2)=CCC1
InChIInChI=1S/C43H31N3O2/c1-2-11-26(12-3-1)41-44-42(27-21-24-38-35(25-27)31-15-6-8-18-36(31)47-38)46-43(45-41)33-23-22-30(28-13-4-5-14-29(28)33)32-17-10-20-39-40(32)34-16-7-9-19-37(34)48-39/h2,5-12,14-25,28,30H,1,3-4,13H2
InChIKeyGYXNEXXQMSAKLZ-UHFFFAOYSA-N
MW621.74 g/mol
LogP11.14
Rot. Bonds4

About 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-yl-4,4a,5,6-tetrahydronaphthalen-1-yl)-1,3,5-triazine

2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-yl-4,4a,5,6-tetrahydronaphthalen-1-yl)-1,3,5-triazine (PubChem CID 170145737) has the molecular formula C43H31N3O2 and a molecular weight of 621.74 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-yl-4,4a,5,6-tetrahydronaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-yl-4,4a,5,6-tetrahydronaphthalen-1-yl)-1,3,5-triazine
PubChem CID170145737
Molecular FormulaC43H31N3O2
Molecular Weight621.74 g/mol
Exact Mass621.24
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-yl-4,4a,5,6-tetrahydronaphthalen-1-yl)-1,3,5-triazine
SMILESC1=CC(c2nc(C3=C4C=CCCC4C(c4cccc5oc6ccccc6c45)C=C3)nc(-c3ccc4oc5ccccc5c4c3)n2)=CCC1
InChIInChI=1S/C43H31N3O2/c1-2-11-26(12-3-1)41-44-42(27-21-24-38-35(25-27)31-15-6-8-18-36(31)47-38)46-43(45-41)33-23-22-30(28-13-4-5-14-29(28)33)32-17-10-20-39-40(32)34-16-7-9-19-37(34)48-39/h2,5-12,14-25,28,30H,1,3-4,13H2
InChIKeyGYXNEXXQMSAKLZ-UHFFFAOYSA-N
XLogP11.14
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.74
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-yl-4,4a,5,6-tetrahydronaphthalen-1-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-cyclohexa-1,5-dien-1-yl-4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 168740292
2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 145448035
2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199069
2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167183007
7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095099
2-cyclohexa-1,5-dien-1-yl-4-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164569004
2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 167008419
4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine
CID 164945015
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170145555
2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198548
2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170145591
9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 163688417

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-yl-4,4a,5,6-tetrahydronaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-yl-4,4a,5,6-tetrahydronaphthalen-1-yl)-1,3,5-triazine (CID 170145737) is 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-yl-4,4a,5,6-tetrahydronaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-yl-4,4a,5,6-tetrahydronaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-yl-4,4a,5,6-tetrahydronaphthalen-1-yl)-1,3,5-triazine is C1=CC(c2nc(C3=C4C=CCCC4C(c4cccc5oc6ccccc6c45)C=C3)nc(-c3ccc4oc5ccccc5c4c3)n2)=CCC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-yl-4,4a,5,6-tetrahydronaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is GYXNEXXQMSAKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3O2/c1-2-11-26(12-3-1)41-44-42(27-21-24-38-35(25-27)31-15-6-8-18-36(31)47-38)46-43(45-41)33-23-22-30(28-13-4-5-14-29(28)33)32-17-10-20-39-40(32)34-16-7-9-19-37(34)48-39/h2,5-12,14-25,28,30H,1,3-4,13H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-yl-4,4a,5,6-tetrahydronaphthalen-1-yl)-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-yl-4,4a,5,6-tetrahydronaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 621.74 g/mol, XLogP of 11.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-yl-4,4a,5,6-tetrahydronaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 170145737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).