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

C46H29N3O — CID 164821314

IUPAC2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(C3(c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C46H29N3O/c1-3-15-30(16-4-1)32-19-13-20-33(29-32)46(39-26-10-7-21-34(39)35-22-8-11-27-40(35)46)45-48-43(31-17-5-2-6-18-31)47-44(49-45)38-25-14-24-37-36-23-9-12-28-41(36)50-42(37)38/h1-29H
InChIKeyJEXCZFXGSHJDGF-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.14
Rot. Bonds5

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

2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine (PubChem CID 164821314) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine
PubChem CID164821314
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(C3(c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C46H29N3O/c1-3-15-30(16-4-1)32-19-13-20-33(29-32)46(39-26-10-7-21-34(39)35-22-8-11-27-40(35)46)45-48-43(31-17-5-2-6-18-31)47-44(49-45)38-25-14-24-37-36-23-9-12-28-41(36)50-42(37)38/h1-29H
InChIKeyJEXCZFXGSHJDGF-UHFFFAOYSA-N
XLogP11.14
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160204
2-dibenzofuran-4-yl-4-[3-(9,9-diphenylfluoren-2-yl)-5-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 164799713
4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603443
2-dibenzofuran-4-yl-4-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 174262887
2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 146367964
2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine
CID 174361695
2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)-1,3,5-triazine
CID 155278995
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-phenyl-6-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,3,5-triazine
CID 155460729
4-(2-dibenzofuran-4-ylphenyl)-2-phenyl-6-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603080
2-dibenzofuran-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821113
2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 174361627

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine (CID 164821314) is 2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine is c1ccc(-c2cccc(C3(c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine?
The InChIKey is JEXCZFXGSHJDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-3-15-30(16-4-1)32-19-13-20-33(29-32)46(39-26-10-7-21-34(39)35-22-8-11-27-40(35)46)45-48-43(31-17-5-2-6-18-31)47-44(49-45)38-25-14-24-37-36-23-9-12-28-41(36)50-42(37)38/h1-29H.
What are the key properties of 2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine?
2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine has a molecular weight of 639.76 g/mol, XLogP of 11.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine is sourced from PubChem (CID 164821314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).