2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine

C46H29N3O — CID 118552995

IUPAC2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3c(ccc5c3oc3ccccc35)C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C46H29N3O/c1-5-15-30(16-6-1)43-47-44(31-17-7-2-8-18-31)49-45(48-43)32-25-27-38-37(29-32)41-39(28-26-36-35-23-13-14-24-40(35)50-42(36)41)46(38,33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-29H
InChIKeyWMMBACQAADGYBL-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.14
Rot. Bonds5

About 2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine

2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 118552995) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID118552995
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3c(ccc5c3oc3ccccc35)C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C46H29N3O/c1-5-15-30(16-6-1)43-47-44(31-17-7-2-8-18-31)49-45(48-43)32-25-27-38-37(29-32)41-39(28-26-36-35-23-13-14-24-40(35)50-42(36)41)46(38,33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-29H
InChIKeyWMMBACQAADGYBL-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

Analyze 2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 146648582
2-(15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)-4,6-diphenyl-1,3,5-triazine
CID 140939335
2-[4-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491019
2-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 118553010
2-[4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602556
2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167349495
2-dibenzofuran-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821113
4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine
CID 154602706
2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575029
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-[3-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450602
2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140939385

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine (CID 118552995) is 2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3c(ccc5c3oc3ccccc35)C4(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is WMMBACQAADGYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-5-15-30(16-6-1)43-47-44(31-17-7-2-8-18-31)49-45(48-43)32-25-27-38-37(29-32)41-39(28-26-36-35-23-13-14-24-40(35)50-42(36)41)46(38,33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-29H.
What are the key properties of 2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine?
2-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-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-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 118552995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).