2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine

C43H37N3O — CID 168740042

IUPAC2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
SMILESC1=CCCC(C2=CC=C(c3nc(C4=CCC5C(=C4)Oc4ccccc45)nc(-c4ccc(C5=CCC6CCC=CC6=C5)cc4)n3)CC2)=C1
InChIInChI=1S/C43H37N3O/c1-2-8-28(9-3-1)30-14-19-32(20-15-30)41-44-42(33-21-16-31(17-22-33)35-23-18-29-10-4-5-11-34(29)26-35)46-43(45-41)36-24-25-38-37-12-6-7-13-39(37)47-40(38)27-36/h1-2,5-8,11-14,16-17,19,21-24,26-27,29,38H,3-4,9-10,15,18,20,25H2
InChIKeyBTJIIKRSBMBKRI-UHFFFAOYSA-N
MW611.79 g/mol
LogP10.45
Rot. Bonds5

About 2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine

2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine (PubChem CID 168740042) has the molecular formula C43H37N3O and a molecular weight of 611.79 g/mol. Its IUPAC name is 2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
PubChem CID168740042
Molecular FormulaC43H37N3O
Molecular Weight611.79 g/mol
Exact Mass611.29
IUPAC Name2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
SMILESC1=CCCC(C2=CC=C(c3nc(C4=CCC5C(=C4)Oc4ccccc45)nc(-c4ccc(C5=CCC6CCC=CC6=C5)cc4)n3)CC2)=C1
InChIInChI=1S/C43H37N3O/c1-2-8-28(9-3-1)30-14-19-32(20-15-30)41-44-42(33-21-16-31(17-22-33)35-23-18-29-10-4-5-11-34(29)26-35)46-43(45-41)36-24-25-38-37-12-6-7-13-39(37)47-40(38)27-36/h1-2,5-8,11-14,16-17,19,21-24,26-27,29,38H,3-4,9-10,15,18,20,25H2
InChIKeyBTJIIKRSBMBKRI-UHFFFAOYSA-N
XLogP10.45
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.79
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 154955419
6-[4-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl]-24-cyclohexa-1,5-dien-1-yl-15-phenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 153304508
6-(4,4a,5,6-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene
CID 123367160
3-(1,9b-dihydrodibenzofuran-3-yl)-9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 170131109
2-cyclohexa-1,3-dien-1-yl-4-(3-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 174012751
2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 129171468
2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine
CID 166891285
4-[9-[2-[4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-6,7-dihydrocarbazol-4-yl]-9-phenylcarbazole
CID 174270554
4-[4-(N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 170235681
2-[4-(4-bromocyclohexa-1,5-dien-1-yl)-6-methylcyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163545940
2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine
CID 155201224
2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[2-(4-spiro[4a,9a-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)phenyl]-1,3,5-triazine
CID 163821376

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The IUPAC name of 2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine (CID 168740042) is 2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine is C1=CCCC(C2=CC=C(c3nc(C4=CCC5C(=C4)Oc4ccccc45)nc(-c4ccc(C5=CCC6CCC=CC6=C5)cc4)n3)CC2)=C1.
What is the InChIKey of 2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The InChIKey is BTJIIKRSBMBKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37N3O/c1-2-8-28(9-3-1)30-14-19-32(20-15-30)41-44-42(33-21-16-31(17-22-33)35-23-18-29-10-4-5-11-34(29)26-35)46-43(45-41)36-24-25-38-37-12-6-7-13-39(37)47-40(38)27-36/h1-2,5-8,11-14,16-17,19,21-24,26-27,29,38H,3-4,9-10,15,18,20,25H2.
What are the key properties of 2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine has a molecular weight of 611.79 g/mol, XLogP of 10.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,4a,5,6-tetrahydronaphthalen-2-yl)phenyl]-4-(1,9b-dihydrodibenzofuran-3-yl)-6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine is sourced from PubChem (CID 168740042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).