2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine

C46H27N3O — CID 122627070

IUPAC2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c(c5oc6ccccc6c35)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C46H27N3O/c1-3-15-28(16-4-1)43-47-44(29-17-5-2-6-18-29)49-45(48-43)34-27-38-41(42-40(34)33-22-10-14-26-39(33)50-42)32-21-9-13-25-37(32)46(38)35-23-11-7-19-30(35)31-20-8-12-24-36(31)46/h1-27H
InChIKeyXEGZTBDLOZOAPB-UHFFFAOYSA-N
MW637.74 g/mol
LogP11.12
Rot. Bonds3

About 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine

2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine (PubChem CID 122627070) has the molecular formula C46H27N3O and a molecular weight of 637.74 g/mol. Its IUPAC name is 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine
PubChem CID122627070
Molecular FormulaC46H27N3O
Molecular Weight637.74 g/mol
Exact Mass637.22
IUPAC Name2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c(c5oc6ccccc6c35)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C46H27N3O/c1-3-15-28(16-4-1)43-47-44(29-17-5-2-6-18-29)49-45(48-43)34-27-38-41(42-40(34)33-22-10-14-26-39(33)50-42)32-21-9-13-25-37(32)46(38)35-23-11-7-19-30(35)31-20-8-12-24-36(31)46/h1-27H
InChIKeyXEGZTBDLOZOAPB-UHFFFAOYSA-N
XLogP11.12
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.74
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-thioxanthene]-11-yl-1,3,5-triazine
CID 146934375
2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-5-yl)-4-(10,10-diphenyl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine
CID 176587134
2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 153284122
2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine
CID 146649021
2,4-diphenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134573663
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648601
CID 163784873
CID 163784873
2,4-diphenyl-6-(4-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]-11-ylphenyl)pyrimidine
CID 148773177
2-dibenzofuran-4-yl-4-phenyl-6-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,3,5-triazine
CID 155460729
2-dibenzofuran-1-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146649061
N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130268
2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491033

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine (CID 122627070) is 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c(c5oc6ccccc6c35)-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine?
The InChIKey is XEGZTBDLOZOAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3O/c1-3-15-28(16-4-1)43-47-44(29-17-5-2-6-18-29)49-45(48-43)34-27-38-41(42-40(34)33-22-10-14-26-39(33)50-42)32-21-9-13-25-37(32)46(38)35-23-11-7-19-30(35)31-20-8-12-24-36(31)46/h1-27H.
What are the key properties of 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine?
2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine has a molecular weight of 637.74 g/mol, XLogP of 11.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine is sourced from PubChem (CID 122627070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).