2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine

C64H43N3O — CID 163416257

IUPAC2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
SMILESCC1c2cccc3c(-c4ccc(-c5nc(-c6cccc(-c7cccc8ccccc78)c6)nc(-c6cccc7c6-c6ccccc6C76c7ccccc7Oc7ccccc76)n5)cc4)ccc(c23)C1C
InChIInChI=1S/C64H43N3O/c1-38-39(2)46-35-36-49(50-23-13-21-45(38)59(46)50)41-31-33-42(34-32-41)61-65-62(44-18-11-17-43(37-44)48-22-12-16-40-15-3-4-19-47(40)48)67-63(66-61)52-24-14-28-56-60(52)51-20-5-6-25-53(51)64(56)54-26-7-9-29-57(54)68-58-30-10-8-27-55(58)64/h3-39H,1-2H3
InChIKeyAERCCWZWINAHNV-UHFFFAOYSA-N
MW870.07 g/mol
LogP16.20
Rot. Bonds5

About 2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine

2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine (PubChem CID 163416257) has the molecular formula C64H43N3O and a molecular weight of 870.07 g/mol. Its IUPAC name is 2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
PubChem CID163416257
Molecular FormulaC64H43N3O
Molecular Weight870.07 g/mol
Exact Mass869.34
IUPAC Name2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
SMILESCC1c2cccc3c(-c4ccc(-c5nc(-c6cccc(-c7cccc8ccccc78)c6)nc(-c6cccc7c6-c6ccccc6C76c7ccccc7Oc7ccccc76)n5)cc4)ccc(c23)C1C
InChIInChI=1S/C64H43N3O/c1-38-39(2)46-35-36-49(50-23-13-21-45(38)59(46)50)41-31-33-42(34-32-41)61-65-62(44-18-11-17-43(37-44)48-22-12-16-40-15-3-4-19-47(40)48)67-63(66-61)52-24-14-28-56-60(52)51-20-5-6-25-53(51)64(56)54-26-7-9-29-57(54)68-58-30-10-8-27-55(58)64/h3-39H,1-2H3
InChIKeyAERCCWZWINAHNV-UHFFFAOYSA-N
XLogP16.20
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.07
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-4-yl-4-(7-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-4-yl)-6-phenyl-1,3,5-triazine
CID 154597028
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326904
2-(6-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(6-phenanthren-9-ylspiro[fluorene-9,9'-xanthene]-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7-phenanthren-3-ylspiro[fluorene-9,9'-xanthene]-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 160916679
2-naphthalen-1-yl-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648556
2-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 147172045
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888
2-phenanthren-2-yl-4-phenyl-6-[4-[3-[3-[4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
CID 155476648
2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 167700860
2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 166024927
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-[3-[3-[4-[(9R)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 166738180
2,4-bis(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 160998252
2-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 167685716

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine?
The IUPAC name of 2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine (CID 163416257) is 2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine is CC1c2cccc3c(-c4ccc(-c5nc(-c6cccc(-c7cccc8ccccc78)c6)nc(-c6cccc7c6-c6ccccc6C76c7ccccc7Oc7ccccc76)n5)cc4)ccc(c23)C1C.
What is the InChIKey of 2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine?
The InChIKey is AERCCWZWINAHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N3O/c1-38-39(2)46-35-36-49(50-23-13-21-45(38)59(46)50)41-31-33-42(34-32-41)61-65-62(44-18-11-17-43(37-44)48-22-12-16-40-15-3-4-19-47(40)48)67-63(66-61)52-24-14-28-56-60(52)51-20-5-6-25-53(51)64(56)54-26-7-9-29-57(54)68-58-30-10-8-27-55(58)64/h3-39H,1-2H3.
What are the key properties of 2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine?
2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine has a molecular weight of 870.07 g/mol, XLogP of 16.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-dimethyl-1,2-dihydroacenaphthylen-5-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine is sourced from PubChem (CID 163416257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).