2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine

C55H47N3O — CID 170021120

IUPAC2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESCCCCc1ccc2c(c1)CC(c1ccc(-c3nc(-c4ccc5cc(CCCC)ccc5c4)nc(-c4cccc5oc6c(-c7ccccc7)cccc6c45)n3)cc1)C=C2
InChIInChI=1S/C55H47N3O/c1-3-5-12-36-21-23-44-34-45(31-30-42(44)32-36)54-56-53(41-27-24-38(25-28-41)43-29-26-39-22-20-37(13-6-4-2)33-46(39)35-43)57-55(58-54)49-18-11-19-50-51(49)48-17-10-16-47(52(48)59-50)40-14-8-7-9-15-40/h7-11,14-34,43H,3-6,12-13,35H2,1-2H3
InChIKeyAROJPVBAODJHOQ-UHFFFAOYSA-N
MW766.00 g/mol
LogP14.63
Rot. Bonds11

About 2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine

2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 170021120) has the molecular formula C55H47N3O and a molecular weight of 766.00 g/mol. Its IUPAC name is 2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID170021120
Molecular FormulaC55H47N3O
Molecular Weight766.00 g/mol
Exact Mass765.37
IUPAC Name2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESCCCCc1ccc2c(c1)CC(c1ccc(-c3nc(-c4ccc5cc(CCCC)ccc5c4)nc(-c4cccc5oc6c(-c7ccccc7)cccc6c45)n3)cc1)C=C2
InChIInChI=1S/C55H47N3O/c1-3-5-12-36-21-23-44-34-45(31-30-42(44)32-36)54-56-53(41-27-24-38(25-28-41)43-29-26-39-22-20-37(13-6-4-2)33-46(39)35-43)57-55(58-54)49-18-11-19-50-51(49)48-17-10-16-47(52(48)59-50)40-14-8-7-9-15-40/h7-11,14-34,43H,3-6,12-13,35H2,1-2H3
InChIKeyAROJPVBAODJHOQ-UHFFFAOYSA-N
XLogP14.63
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.00
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-naphthalen-2-yl-4-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808335
2-naphthalen-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743611
2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742620
2-(1,2-dihydronaphthalen-2-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167007887
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228
2-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166742466
2-naphthalen-2-yl-4-phenanthren-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741408
2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016879
2-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-(5-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-(6-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165065767
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214025
2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214033
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808398

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine (CID 170021120) is 2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine is CCCCc1ccc2c(c1)CC(c1ccc(-c3nc(-c4ccc5cc(CCCC)ccc5c4)nc(-c4cccc5oc6c(-c7ccccc7)cccc6c45)n3)cc1)C=C2.
What is the InChIKey of 2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is AROJPVBAODJHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47N3O/c1-3-5-12-36-21-23-44-34-45(31-30-42(44)32-36)54-56-53(41-27-24-38(25-28-41)43-29-26-39-22-20-37(13-6-4-2)33-46(39)35-43)57-55(58-54)49-18-11-19-50-51(49)48-17-10-16-47(52(48)59-50)40-14-8-7-9-15-40/h7-11,14-34,43H,3-6,12-13,35H2,1-2H3.
What are the key properties of 2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine?
2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 766.00 g/mol, XLogP of 14.63, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 170021120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).