2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine

C67H47N3O3 — CID 168834420

IUPAC2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)nc(-c5ccc6c(c5)-c5ccc7c(c5C65C6CC8CC(C6)CC5C8)Oc5ccccc5O7)n4)c3)c2)cc1
InChIInChI=1S/C67H47N3O3/c1-2-12-41(13-3-1)42-14-8-15-43(35-42)44-16-9-18-46(36-44)64-68-65(47-19-10-17-45(37-47)51-21-11-22-54-52-20-4-5-23-57(52)72-62(51)54)70-66(69-64)48-26-28-56-55(38-48)53-27-29-60-63(73-59-25-7-6-24-58(59)71-60)61(53)67(56)49-31-39-30-40(33-49)34-50(67)32-39/h1-29,35-40,49-50H,30-34H2
InChIKeyNMBKHGYRZILKNK-UHFFFAOYSA-N
MW942.13 g/mol
LogP17.39
Rot. Bonds6

About 2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine

2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine (PubChem CID 168834420) has the molecular formula C67H47N3O3 and a molecular weight of 942.13 g/mol. Its IUPAC name is 2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine
PubChem CID168834420
Molecular FormulaC67H47N3O3
Molecular Weight942.13 g/mol
Exact Mass941.36
IUPAC Name2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)nc(-c5ccc6c(c5)-c5ccc7c(c5C65C6CC8CC(C6)CC5C8)Oc5ccccc5O7)n4)c3)c2)cc1
InChIInChI=1S/C67H47N3O3/c1-2-12-41(13-3-1)42-14-8-15-43(35-42)44-16-9-18-46(36-44)64-68-65(47-19-10-17-45(37-47)51-21-11-22-54-52-20-4-5-23-57(52)72-62(51)54)70-66(69-64)48-26-28-56-55(38-48)53-27-29-60-63(73-59-25-7-6-24-58(59)71-60)61(53)67(56)49-31-39-30-40(33-49)34-50(67)32-39/h1-29,35-40,49-50H,30-34H2
InChIKeyNMBKHGYRZILKNK-UHFFFAOYSA-N
XLogP17.39
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.13
LogP ≤ 517.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran
CID 168803731
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine
CID 166017896
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-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine
CID 156561204
2-[3-(4'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]-4,6-diphenylpyrimidine
CID 168803641
2-(4-dibenzofuran-2-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353756
2-[3-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164819047
2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168803633
2,4-di(dibenzofuran-4-yl)-6-(7'-dibenzothiophen-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)-1,3,5-triazine
CID 168803803
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573656
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353713
N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine
CID 163638025

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine (CID 168834420) is 2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine is c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)nc(-c5ccc6c(c5)-c5ccc7c(c5C65C6CC8CC(C6)CC5C8)Oc5ccccc5O7)n4)c3)c2)cc1.
What is the InChIKey of 2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine?
The InChIKey is NMBKHGYRZILKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47N3O3/c1-2-12-41(13-3-1)42-14-8-15-43(35-42)44-16-9-18-46(36-44)64-68-65(47-19-10-17-45(37-47)51-21-11-22-54-52-20-4-5-23-57(52)72-62(51)54)70-66(69-64)48-26-28-56-55(38-48)53-27-29-60-63(73-59-25-7-6-24-58(59)71-60)61(53)67(56)49-31-39-30-40(33-49)34-50(67)32-39/h1-29,35-40,49-50H,30-34H2.
What are the key properties of 2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine?
2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine has a molecular weight of 942.13 g/mol, XLogP of 17.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine is sourced from PubChem (CID 168834420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).