2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C51H39N3O — CID 164797633

IUPAC2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(C7CCCCC7)cc6)c45)n3)cc2)cc1
InChIInChI=1S/C51H39N3O/c1-4-11-34(12-5-1)37-19-25-40(26-20-37)44-17-10-18-46-48(44)45-32-31-43(33-47(45)55-46)51-53-49(41-27-21-38(22-28-41)35-13-6-2-7-14-35)52-50(54-51)42-29-23-39(24-30-42)36-15-8-3-9-16-36/h2-3,6-10,13-34H,1,4-5,11-12H2
InChIKeyJNZHAVSSJYEZKW-UHFFFAOYSA-N
MW709.89 g/mol
LogP13.82
Rot. Bonds7

About 2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 164797633) has the molecular formula C51H39N3O and a molecular weight of 709.89 g/mol. Its IUPAC name is 2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID164797633
Molecular FormulaC51H39N3O
Molecular Weight709.89 g/mol
Exact Mass709.31
IUPAC Name2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(C7CCCCC7)cc6)c45)n3)cc2)cc1
InChIInChI=1S/C51H39N3O/c1-4-11-34(12-5-1)37-19-25-40(26-20-37)44-17-10-18-46-48(44)45-32-31-43(33-47(45)55-46)51-53-49(41-27-21-38(22-28-41)35-13-6-2-7-14-35)52-50(54-51)42-29-23-39(24-30-42)36-15-8-3-9-16-36/h2-3,6-10,13-34H,1,4-5,11-12H2
InChIKeyJNZHAVSSJYEZKW-UHFFFAOYSA-N
XLogP13.82
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.89
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]germane;trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane
CID 165037309
[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenyldibenzofuran-3-yl]-trimethylsilane;2-[9-(4-cyclopentylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[9-(4-methylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 165012266
2-[4-(oxolan-3-yl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798198
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189
2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797827
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
2-(3,5-diphenylphenyl)-4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797691
2-(3,4-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797807
2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797357
2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797601
2,4-bis(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165042991

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 164797633) is 2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(C7CCCCC7)cc6)c45)n3)cc2)cc1.
What is the InChIKey of 2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is JNZHAVSSJYEZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N3O/c1-4-11-34(12-5-1)37-19-25-40(26-20-37)44-17-10-18-46-48(44)45-32-31-43(33-47(45)55-46)51-53-49(41-27-21-38(22-28-41)35-13-6-2-7-14-35)52-50(54-51)42-29-23-39(24-30-42)36-15-8-3-9-16-36/h2-3,6-10,13-34H,1,4-5,11-12H2.
What are the key properties of 2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 709.89 g/mol, XLogP of 13.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164797633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).