2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine

C49H33N3O — CID 170020099

IUPAC2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESC1=Cc2ccc(-c3cc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc6oc7ccccc7c56)n4)ccc3-c3ccccc3)cc2CC1
InChIInChI=1S/C49H33N3O/c1-3-13-32(14-4-1)36-19-11-20-38(30-36)47-50-48(52-49(51-47)42-22-12-24-45-46(42)41-21-9-10-23-44(41)53-45)39-27-28-40(34-16-5-2-6-17-34)43(31-39)37-26-25-33-15-7-8-18-35(33)29-37/h1-7,9-17,19-31H,8,18H2
InChIKeyIWGXUHSOOWNMHS-UHFFFAOYSA-N
MW679.82 g/mol
LogP12.73
Rot. Bonds6

About 2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 170020099) has the molecular formula C49H33N3O and a molecular weight of 679.82 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID170020099
Molecular FormulaC49H33N3O
Molecular Weight679.82 g/mol
Exact Mass679.26
IUPAC Name2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESC1=Cc2ccc(-c3cc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc6oc7ccccc7c56)n4)ccc3-c3ccccc3)cc2CC1
InChIInChI=1S/C49H33N3O/c1-3-13-32(14-4-1)36-19-11-20-38(30-36)47-50-48(52-49(51-47)42-22-12-24-45-46(42)41-21-9-10-23-44(41)53-45)39-27-28-40(34-16-5-2-6-17-34)43(31-39)37-26-25-33-15-7-8-18-35(33)29-37/h1-7,9-17,19-31H,8,18H2
InChIKeyIWGXUHSOOWNMHS-UHFFFAOYSA-N
XLogP12.73
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-1-yl-4-[6-(5,6-dihydronaphthalen-2-yl)naphthalen-2-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 170129630
2-phenyl-4-(3-phenylphenyl)-6-[8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946253
2,4-diphenyl-6-[8-[4-phenyl-3-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199084
2-(7,8-dihydronaphthalen-2-yl)-4-(3-phenanthren-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170219053
2-dibenzofuran-1-yl-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177112627
2-[8-[4-(2,4-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 160543565
2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 134199075
2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163478028
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942372
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164942447

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 170020099) is 2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine is C1=Cc2ccc(-c3cc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc6oc7ccccc7c56)n4)ccc3-c3ccccc3)cc2CC1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is IWGXUHSOOWNMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O/c1-3-13-32(14-4-1)36-19-11-20-38(30-36)47-50-48(52-49(51-47)42-22-12-24-45-46(42)41-21-9-10-23-44(41)53-45)39-27-28-40(34-16-5-2-6-17-34)43(31-39)37-26-25-33-15-7-8-18-35(33)29-37/h1-7,9-17,19-31H,8,18H2.
What are the key properties of 2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 679.82 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170020099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).