2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine

C50H35N3O2 — CID 174001218

IUPAC2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine
SMILESC[C@@H]1C=CC(C2C=Cc3cc(-c4nc(-c5ccccc5)nc(-c5c(-c6ccc7c(c6)oc6ccccc67)ccc6oc7ccccc7c56)n4)ccc3C2)=CC1
InChIInChI=1S/C50H35N3O2/c1-30-15-17-31(18-16-30)33-19-20-35-28-37(22-21-34(35)27-33)49-51-48(32-9-3-2-4-10-32)52-50(53-49)47-38(25-26-44-46(47)41-12-6-8-14-43(41)54-44)36-23-24-40-39-11-5-7-13-42(39)55-45(40)29-36/h2-15,17-26,28-30,33H,16,27H2,1H3/t30-,33?/m1/s1
InChIKeyVRQZBJGTQBSJDZ-UEACTRMWSA-N
MW709.85 g/mol
LogP13.05
Rot. Bonds5

About 2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine

2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine (PubChem CID 174001218) has the molecular formula C50H35N3O2 and a molecular weight of 709.85 g/mol. Its IUPAC name is 2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine
PubChem CID174001218
Molecular FormulaC50H35N3O2
Molecular Weight709.85 g/mol
Exact Mass709.27
IUPAC Name2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine
SMILESC[C@@H]1C=CC(C2C=Cc3cc(-c4nc(-c5ccccc5)nc(-c5c(-c6ccc7c(c6)oc6ccccc67)ccc6oc7ccccc7c56)n4)ccc3C2)=CC1
InChIInChI=1S/C50H35N3O2/c1-30-15-17-31(18-16-30)33-19-20-35-28-37(22-21-34(35)27-33)49-51-48(32-9-3-2-4-10-32)52-50(53-49)47-38(25-26-44-46(47)41-12-6-8-14-43(41)54-44)36-23-24-40-39-11-5-7-13-42(39)55-45(40)29-36/h2-15,17-26,28-30,33H,16,27H2,1H3/t30-,33?/m1/s1
InChIKeyVRQZBJGTQBSJDZ-UEACTRMWSA-N
XLogP13.05
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.85
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170145555
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170009511
2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 170130251
2-(2-dibenzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 159761626
2-(3-dibenzofuran-1-yldibenzofuran-1-yl)-4-(1,2-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170009033
2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 174305803
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 170013631
2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
2-dibenzofuran-1-yl-4-(2-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743045
2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402344
2-naphthalen-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742408

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine (CID 174001218) is 2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine is C[C@@H]1C=CC(C2C=Cc3cc(-c4nc(-c5ccccc5)nc(-c5c(-c6ccc7c(c6)oc6ccccc67)ccc6oc7ccccc7c56)n4)ccc3C2)=CC1.
What is the InChIKey of 2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is VRQZBJGTQBSJDZ-UEACTRMWSA-N. The full InChI is InChI=1S/C50H35N3O2/c1-30-15-17-31(18-16-30)33-19-20-35-28-37(22-21-34(35)27-33)49-51-48(32-9-3-2-4-10-32)52-50(53-49)47-38(25-26-44-46(47)41-12-6-8-14-43(41)54-44)36-23-24-40-39-11-5-7-13-42(39)55-45(40)29-36/h2-15,17-26,28-30,33H,16,27H2,1H3/t30-,33?/m1/s1.
What are the key properties of 2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine?
2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 709.85 g/mol, XLogP of 13.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 174001218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).