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

C48H33N3O — CID 170209349

IUPAC2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc(-c8ccc(C9CC9)cc8)cc7)cc6c45)n3)cc2)cc1
InChIInChI=1S/C48H33N3O/c1-3-8-31(9-4-1)32-24-26-39(27-25-32)47-49-46(38-10-5-2-6-11-38)50-48(51-47)41-12-7-13-44-45(41)42-30-40(28-29-43(42)52-44)37-22-20-36(21-23-37)35-18-16-34(17-19-35)33-14-15-33/h1-13,16-30,33H,14-15H2
InChIKeyHIANFRLNAMJRBV-UHFFFAOYSA-N
MW667.81 g/mol
LogP12.65
Rot. Bonds7

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

2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 170209349) has the molecular formula C48H33N3O and a molecular weight of 667.81 g/mol. Its IUPAC name is 2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID170209349
Molecular FormulaC48H33N3O
Molecular Weight667.81 g/mol
Exact Mass667.26
IUPAC Name2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc(-c8ccc(C9CC9)cc8)cc7)cc6c45)n3)cc2)cc1
InChIInChI=1S/C48H33N3O/c1-3-8-31(9-4-1)32-24-26-39(27-25-32)47-49-46(38-10-5-2-6-11-38)50-48(51-47)41-12-7-13-44-45(41)42-30-40(28-29-43(42)52-44)37-22-20-36(21-23-37)35-18-16-34(17-19-35)33-14-15-33/h1-13,16-30,33H,14-15H2
InChIKeyHIANFRLNAMJRBV-UHFFFAOYSA-N
XLogP12.65
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459
2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946169
2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 161271713
2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134198515
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
2-[8-(4-methylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 134199083
2-[8-(4-chlorophenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142427415

Frequently Asked Questions

What is the IUPAC name of 2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 170209349) is 2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc(-c8ccc(C9CC9)cc8)cc7)cc6c45)n3)cc2)cc1.
What is the InChIKey of 2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is HIANFRLNAMJRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O/c1-3-8-31(9-4-1)32-24-26-39(27-25-32)47-49-46(38-10-5-2-6-11-38)50-48(51-47)41-12-7-13-44-45(41)42-30-40(28-29-43(42)52-44)37-22-20-36(21-23-37)35-18-16-34(17-19-35)33-14-15-33/h1-13,16-30,33H,14-15H2.
What are the key properties of 2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 667.81 g/mol, XLogP of 12.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170209349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).