2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine

C46H29N3O — CID 146648582

IUPAC2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C46H29N3O/c1-4-14-30(15-5-1)43-47-44(49-45(48-43)32-24-26-37-36-21-11-13-23-41(36)50-42(37)29-32)31-25-27-40-38(28-31)35-20-10-12-22-39(35)46(40,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-29H
InChIKeyZEBKYQBATWPVRM-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.14
Rot. Bonds5

About 2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine

2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine (PubChem CID 146648582) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
PubChem CID146648582
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C46H29N3O/c1-4-14-30(15-5-1)43-47-44(49-45(48-43)32-24-26-37-36-21-11-13-23-41(36)50-42(37)29-32)31-25-27-40-38(28-31)35-20-10-12-22-39(35)46(40,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-29H
InChIKeyZEBKYQBATWPVRM-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-3-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine
CID 148861286
2-dibenzofuran-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821113
2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146367670
2-(9,9-diphenylfluoren-3-yl)-4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170680887
2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581940
2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146581865
2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 147385970
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 153287979
2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 174361088
4-[4-(4-dibenzofuran-3-ylnaphthalen-1-yl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603662
2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581949
2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 165029905

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine (CID 146648582) is 2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is ZEBKYQBATWPVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-4-14-30(15-5-1)43-47-44(49-45(48-43)32-24-26-37-36-21-11-13-23-41(36)50-42(37)29-32)31-25-27-40-38(28-31)35-20-10-12-22-39(35)46(40,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-29H.
What are the key properties of 2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine?
2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-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-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146648582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).