2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine

C53H37N3O2 — CID 167353713

IUPAC2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
SMILESc1ccc2c3c(ccc2c1)-c1ccc(-c2nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5oc6ccccc6c45)n2)cc1C31C2CC3CC(C2)CC1C3
InChIInChI=1S/C53H37N3O2/c1-2-10-35-31(9-1)19-22-38-36-21-20-32(28-43(36)53(48(35)38)33-24-29-23-30(26-33)27-34(53)25-29)50-54-51(41-14-8-18-46-47(41)40-12-4-6-17-45(40)57-46)56-52(55-50)42-15-7-13-39-37-11-3-5-16-44(37)58-49(39)42/h1-22,28-30,33-34H,23-27H2
InChIKeyPBHGCERHNOXFDI-UHFFFAOYSA-N
MW747.90 g/mol
LogP13.55
Rot. Bonds3

About 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine

2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine (PubChem CID 167353713) has the molecular formula C53H37N3O2 and a molecular weight of 747.90 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
PubChem CID167353713
Molecular FormulaC53H37N3O2
Molecular Weight747.90 g/mol
Exact Mass747.29
IUPAC Name2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
SMILESc1ccc2c3c(ccc2c1)-c1ccc(-c2nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5oc6ccccc6c45)n2)cc1C31C2CC3CC(C2)CC1C3
InChIInChI=1S/C53H37N3O2/c1-2-10-35-31(9-1)19-22-38-36-21-20-32(28-43(36)53(48(35)38)33-24-29-23-30(26-33)27-34(53)25-29)50-54-51(41-14-8-18-46-47(41)40-12-4-6-17-45(40)57-46)56-52(55-50)42-15-7-13-39-37-11-3-5-16-44(37)58-49(39)42/h1-22,28-30,33-34H,23-27H2
InChIKeyPBHGCERHNOXFDI-UHFFFAOYSA-N
XLogP13.55
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.90
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353697
2-(3-dibenzofuran-1-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353552
2-(4-dibenzofuran-2-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353756
2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine
CID 168803849
2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine
CID 167353781
2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 167353905
2-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine
CID 156561204
2,4-di(dibenzofuran-4-yl)-6-(7'-dibenzothiophen-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)-1,3,5-triazine
CID 168803803
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine
CID 169278835
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353637
2-(7'-dibenzofuran-3-ylspiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-diphenyl-1,3,5-triazine
CID 168803617
spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran]
CID 168834609

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine (CID 167353713) is 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine is c1ccc2c3c(ccc2c1)-c1ccc(-c2nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5oc6ccccc6c45)n2)cc1C31C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine?
The InChIKey is PBHGCERHNOXFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3O2/c1-2-10-35-31(9-1)19-22-38-36-21-20-32(28-43(36)53(48(35)38)33-24-29-23-30(26-33)27-34(53)25-29)50-54-51(41-14-8-18-46-47(41)40-12-4-6-17-45(40)57-46)56-52(55-50)42-15-7-13-39-37-11-3-5-16-44(37)58-49(39)42/h1-22,28-30,33-34H,23-27H2.
What are the key properties of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine has a molecular weight of 747.90 g/mol, XLogP of 13.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine is sourced from PubChem (CID 167353713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).