2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine

C50H35N3O — CID 167008360

IUPAC2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESCC1C=CC(c2nc(-c3ccc(-c4ccccc4)c4ccccc34)nc(-c3cccc4oc5cc(-c6ccc(-c7ccccc7)cc6)ccc5c34)n2)=CC1
InChIInChI=1S/C50H35N3O/c1-32-19-21-37(22-20-32)48-51-49(42-30-29-39(36-13-6-3-7-14-36)40-15-8-9-16-41(40)42)53-50(52-48)44-17-10-18-45-47(44)43-28-27-38(31-46(43)54-45)35-25-23-34(24-26-35)33-11-4-2-5-12-33/h2-19,21-32H,20H2,1H3
InChIKeyJSTKTQIAQUHXNY-UHFFFAOYSA-N
MW693.85 g/mol
LogP13.24
Rot. Bonds6

About 2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine

2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 167008360) has the molecular formula C50H35N3O and a molecular weight of 693.85 g/mol. Its IUPAC name is 2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID167008360
Molecular FormulaC50H35N3O
Molecular Weight693.85 g/mol
Exact Mass693.28
IUPAC Name2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESCC1C=CC(c2nc(-c3ccc(-c4ccccc4)c4ccccc34)nc(-c3cccc4oc5cc(-c6ccc(-c7ccccc7)cc6)ccc5c34)n2)=CC1
InChIInChI=1S/C50H35N3O/c1-32-19-21-37(22-20-32)48-51-49(42-30-29-39(36-13-6-3-7-14-36)40-15-8-9-16-41(40)42)53-50(52-48)44-17-10-18-45-47(44)43-28-27-38(31-46(43)54-45)35-25-23-34(24-26-35)33-11-4-2-5-12-33/h2-19,21-32H,20H2,1H3
InChIKeyJSTKTQIAQUHXNY-UHFFFAOYSA-N
XLogP13.24
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.85
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-1-yl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(4-naphthalen-2-yl-3-phenylphenyl)-1,3,5-triazine
CID 170129891
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-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167008068
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 166742927
2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166742269
2-dibenzofuran-1-yl-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 169053839
2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 157361535
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158453153
2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164798119
2-phenyl-4-(7-phenyldibenzofuran-1-yl)-6-(6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 174314692

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (CID 167008360) is 2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is CC1C=CC(c2nc(-c3ccc(-c4ccccc4)c4ccccc34)nc(-c3cccc4oc5cc(-c6ccc(-c7ccccc7)cc6)ccc5c34)n2)=CC1.
What is the InChIKey of 2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is JSTKTQIAQUHXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N3O/c1-32-19-21-37(22-20-32)48-51-49(42-30-29-39(36-13-6-3-7-14-36)40-15-8-9-16-41(40)42)53-50(52-48)44-17-10-18-45-47(44)43-28-27-38(31-46(43)54-45)35-25-23-34(24-26-35)33-11-4-2-5-12-33/h2-19,21-32H,20H2,1H3.
What are the key properties of 2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 693.85 g/mol, XLogP of 13.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 167008360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).