2-[6-[7'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine

C62H46N8 — CID 164818946

IUPAC2-[6-[7'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cn7)ccc6-5)C5CC6CC(C5)CC4C6)nc3)n2)cc1
InChIInChI=1S/C62H46N8/c1-5-13-40(14-6-1)56-65-57(41-15-7-2-8-16-41)68-60(67-56)46-23-27-54(63-36-46)44-21-25-50-51-26-22-45(35-53(51)62(52(50)34-44)48-30-38-29-39(32-48)33-49(62)31-38)55-28-24-47(37-64-55)61-69-58(42-17-9-3-10-18-42)66-59(70-61)43-19-11-4-12-20-43/h1-28,34-39,48-49H,29-33H2
InChIKeyAOIHGHMARAHEEH-UHFFFAOYSA-N
MW903.11 g/mol
LogP13.91
Rot. Bonds8

About 2-[6-[7'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine

2-[6-[7'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 164818946) has the molecular formula C62H46N8 and a molecular weight of 903.11 g/mol. Its IUPAC name is 2-[6-[7'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[7'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID164818946
Molecular FormulaC62H46N8
Molecular Weight903.11 g/mol
Exact Mass902.38
IUPAC Name2-[6-[7'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cn7)ccc6-5)C5CC6CC(C5)CC4C6)nc3)n2)cc1
InChIInChI=1S/C62H46N8/c1-5-13-40(14-6-1)56-65-57(41-15-7-2-8-16-41)68-60(67-56)46-23-27-54(63-36-46)44-21-25-50-51-26-22-45(35-53(51)62(52(50)34-44)48-30-38-29-39(32-48)33-49(62)31-38)55-28-24-47(37-64-55)61-69-58(42-17-9-3-10-18-42)66-59(70-61)43-19-11-4-12-20-43/h1-28,34-39,48-49H,29-33H2
InChIKeyAOIHGHMARAHEEH-UHFFFAOYSA-N
XLogP13.91
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.11
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-[7'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-[2-(2-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-1,3,5-triazine
CID 164811663
2-[7'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-3'-yl]-4,6-diphenyl-1,3,5-triazine
CID 164818888
2-phenyl-4-(3-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[b]fluorene]-2'-yl-1,3,5-triazine
CID 167353491
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-spiro[adamantane-2,9'-fluorene]-2'-yl-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-spiro[adamantane-2,9'-fluorene]-2'-yl-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylpyrimidin-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 165101737
2-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 168803912
2,4-diphenyl-6-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)-1,3,5-triazine
CID 164819330
2-[7'-(2-isocyanophenyl)spiro[adamantane-2,9'-fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine
CID 168798452
2-[3-(4-methylphenyl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 147428060
2-(7'-dibenzofuran-3-ylspiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-diphenyl-1,3,5-triazine
CID 168803617
2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168803633
2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-2'-yl-1,3,5-triazine
CID 156561346
2,4-diphenyl-6-spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-yl-1,3,5-triazine
CID 167353589

Frequently Asked Questions

What is the IUPAC name of 2-[6-[7'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6-[7'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine (CID 164818946) is 2-[6-[7'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6-[7'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6-[7'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cn7)ccc6-5)C5CC6CC(C5)CC4C6)nc3)n2)cc1.
What is the InChIKey of 2-[6-[7'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is AOIHGHMARAHEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N8/c1-5-13-40(14-6-1)56-65-57(41-15-7-2-8-16-41)68-60(67-56)46-23-27-54(63-36-46)44-21-25-50-51-26-22-45(35-53(51)62(52(50)34-44)48-30-38-29-39(32-48)33-49(62)31-38)55-28-24-47(37-64-55)61-69-58(42-17-9-3-10-18-42)66-59(70-61)43-19-11-4-12-20-43/h1-28,34-39,48-49H,29-33H2.
What are the key properties of 2-[6-[7'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine?
2-[6-[7'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 903.11 g/mol, XLogP of 13.91, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[7'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 164818946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).