2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C55H41N3O — CID 168803633

IUPAC2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ccc8oc9ccccc9c8c7)ccc6-5)C5CC6CC(C5)CC4C6)cc3)n2)cc1
InChIInChI=1S/C55H41N3O/c1-3-9-36(10-4-1)52-56-53(37-11-5-2-6-12-37)58-54(57-52)38-17-15-35(16-18-38)40-19-22-44-45-23-20-41(39-21-24-51-47(30-39)46-13-7-8-14-50(46)59-51)32-49(45)55(48(44)31-40)42-26-33-25-34(28-42)29-43(55)27-33/h1-24,30-34,42-43H,25-29H2
InChIKeySDXZFVRKWUHJHZ-UHFFFAOYSA-N
MW759.95 g/mol
LogP13.83
Rot. Bonds5

About 2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 168803633) has the molecular formula C55H41N3O and a molecular weight of 759.95 g/mol. Its IUPAC name is 2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID168803633
Molecular FormulaC55H41N3O
Molecular Weight759.95 g/mol
Exact Mass759.32
IUPAC Name2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ccc8oc9ccccc9c8c7)ccc6-5)C5CC6CC(C5)CC4C6)cc3)n2)cc1
InChIInChI=1S/C55H41N3O/c1-3-9-36(10-4-1)52-56-53(37-11-5-2-6-12-37)58-54(57-52)38-17-15-35(16-18-38)40-19-22-44-45-23-20-41(39-21-24-51-47(30-39)46-13-7-8-14-50(46)59-51)32-49(45)55(48(44)31-40)42-26-33-25-34(28-42)29-43(55)27-33/h1-24,30-34,42-43H,25-29H2
InChIKeySDXZFVRKWUHJHZ-UHFFFAOYSA-N
XLogP13.83
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.95
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-dibenzofuran-2-yl-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164811674
2-(7'-dibenzofuran-3-ylspiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-diphenyl-1,3,5-triazine
CID 168803617
2-(4-dibenzofuran-2-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353756
2-(4-dibenzofuran-2-ylphenyl)-4-[4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166017816
2-phenyl-4-(3-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[b]fluorene]-2'-yl-1,3,5-triazine
CID 167353491
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
7'-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine]-4'-carbonitrile
CID 167269644
2-dibenzofuran-3-yl-4-[6-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 166017952
2-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-2'-yl-1,3,5-triazine
CID 167353501
2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine
CID 167353781
2-dibenzofuran-3-yl-4-[3-[7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,8'-tricyclo[5.3.1.04,9]undecane]-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 167162782

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 168803633) is 2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ccc8oc9ccccc9c8c7)ccc6-5)C5CC6CC(C5)CC4C6)cc3)n2)cc1.
What is the InChIKey of 2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is SDXZFVRKWUHJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N3O/c1-3-9-36(10-4-1)52-56-53(37-11-5-2-6-12-37)58-54(57-52)38-17-15-35(16-18-38)40-19-22-44-45-23-20-41(39-21-24-51-47(30-39)46-13-7-8-14-50(46)59-51)32-49(45)55(48(44)31-40)42-26-33-25-34(28-42)29-43(55)27-33/h1-24,30-34,42-43H,25-29H2.
What are the key properties of 2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 759.95 g/mol, XLogP of 13.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 168803633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).