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

C72H53N3O — CID 166017816

IUPAC2-(4-dibenzofuran-2-ylphenyl)-4-[4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6C5(c5ccccc5)c5ccccc5)C5CC6CC(C5)CC4C6)c4ccccc34)n2)cc1
InChIInChI=1S/C72H53N3O/c1-4-16-48(17-5-1)68-73-69(49-30-28-47(29-31-49)50-33-37-67-61(43-50)59-24-12-15-27-66(59)76-67)75-70(74-68)60-35-34-56(57-22-10-11-23-58(57)60)51-32-36-64-65(44-51)72(54-39-45-38-46(41-54)42-55(72)40-45)63-26-14-13-25-62(63)71(64,52-18-6-2-7-19-52)53-20-8-3-9-21-53/h1-37,43-46,54-55H,38-42H2
InChIKeyRSECPUDAENNQJV-UHFFFAOYSA-N
MW976.24 g/mol
LogP17.70
Rot. Bonds7

About 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

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 (PubChem CID 166017816) has the molecular formula C72H53N3O and a molecular weight of 976.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(4-dibenzofuran-2-ylphenyl)-4-[4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID166017816
Molecular FormulaC72H53N3O
Molecular Weight976.24 g/mol
Exact Mass975.42
IUPAC Name2-(4-dibenzofuran-2-ylphenyl)-4-[4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6C5(c5ccccc5)c5ccccc5)C5CC6CC(C5)CC4C6)c4ccccc34)n2)cc1
InChIInChI=1S/C72H53N3O/c1-4-16-48(17-5-1)68-73-69(49-30-28-47(29-31-49)50-33-37-67-61(43-50)59-24-12-15-27-66(59)76-67)75-70(74-68)60-35-34-56(57-22-10-11-23-58(57)60)51-32-36-64-65(44-51)72(54-39-45-38-46(41-54)42-55(72)40-45)63-26-14-13-25-62(63)71(64,52-18-6-2-7-19-52)53-20-8-3-9-21-53/h1-37,43-46,54-55H,38-42H2
InChIKeyRSECPUDAENNQJV-UHFFFAOYSA-N
XLogP17.70
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.24
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168803633
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-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166017953
2-[3-[3-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166018181
2-[4-(3,5-diphenylphenyl)phenyl]-4-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-6-phenyl-1,3,5-triazine
CID 166018192
2-(10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 166017794
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-(9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 166018058
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,9'-xanthene]-3'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 166017792
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-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166017889

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6C5(c5ccccc5)c5ccccc5)C5CC6CC(C5)CC4C6)c4ccccc34)n2)cc1.
What is the InChIKey of 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?
The InChIKey is RSECPUDAENNQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H53N3O/c1-4-16-48(17-5-1)68-73-69(49-30-28-47(29-31-49)50-33-37-67-61(43-50)59-24-12-15-27-66(59)76-67)75-70(74-68)60-35-34-56(57-22-10-11-23-58(57)60)51-32-36-64-65(44-51)72(54-39-45-38-46(41-54)42-55(72)40-45)63-26-14-13-25-62(63)71(64,52-18-6-2-7-19-52)53-20-8-3-9-21-53/h1-37,43-46,54-55H,38-42H2.
What are the key properties of 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?
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 has a molecular weight of 976.24 g/mol, XLogP of 17.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166017816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).