2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine

C53H35N3O — CID 170237130

IUPAC2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=CC(c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6cc(-c7ccccc7)ccc6c45)n3)ccc2-c2ccccc2)Cc2ccccc21
InChIInChI=1S/C53H35N3O/c1-3-12-34(13-4-1)40-26-29-45-49(33-40)57-48-21-11-20-46(50(45)48)53-55-51(42-25-23-36-15-8-10-19-39(36)31-42)54-52(56-53)43-27-28-44(37-16-5-2-6-17-37)47(32-43)41-24-22-35-14-7-9-18-38(35)30-41/h1-29,31-33,41H,30H2
InChIKeyNOAHMTBARQXSGQ-UHFFFAOYSA-N
MW729.88 g/mol
LogP13.61
Rot. Bonds6

About 2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine

2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 170237130) has the molecular formula C53H35N3O and a molecular weight of 729.88 g/mol. Its IUPAC name is 2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID170237130
Molecular FormulaC53H35N3O
Molecular Weight729.88 g/mol
Exact Mass729.28
IUPAC Name2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=CC(c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6cc(-c7ccccc7)ccc6c45)n3)ccc2-c2ccccc2)Cc2ccccc21
InChIInChI=1S/C53H35N3O/c1-3-12-34(13-4-1)40-26-29-45-49(33-40)57-48-21-11-20-46(50(45)48)53-55-51(42-25-23-36-15-8-10-19-39(36)31-42)54-52(56-53)43-27-28-44(37-16-5-2-6-17-37)47(32-43)41-24-22-35-14-7-9-18-38(35)30-41/h1-29,31-33,41H,30H2
InChIKeyNOAHMTBARQXSGQ-UHFFFAOYSA-N
XLogP13.61
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166743599
2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
CID 170424272
2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167008024
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 166742927
2-naphthalen-1-yl-4-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 164798033
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-(3-dibenzofuran-1-yldibenzofuran-1-yl)-4-(1,2-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170009033
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176616874
2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797575
2-[6-(7-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166742881
2-naphthalen-2-yl-4-(7-phenanthren-3-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741117
2-dibenzofuran-1-yl-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 169053839

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine (CID 170237130) is 2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine is C1=CC(c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6cc(-c7ccccc7)ccc6c45)n3)ccc2-c2ccccc2)Cc2ccccc21.
What is the InChIKey of 2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is NOAHMTBARQXSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3O/c1-3-12-34(13-4-1)40-26-29-45-49(33-40)57-48-21-11-20-46(50(45)48)53-55-51(42-25-23-36-15-8-10-19-39(36)31-42)54-52(56-53)43-27-28-44(37-16-5-2-6-17-37)47(32-43)41-24-22-35-14-7-9-18-38(35)30-41/h1-29,31-33,41H,30H2.
What are the key properties of 2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine?
2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 729.88 g/mol, XLogP of 13.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 170237130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).