2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

C53H39N3 — CID 146495104

IUPAC2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cccc5c(C6=NC(c7ccccc7)N=C(c7ccccc7)N6)cccc45)cccc32)c2ccccc21
InChIInChI=1S/C53H39N3/c1-52(2)43-29-11-13-31-45(43)53(46-32-14-12-30-44(46)52)42-28-10-9-22-41(42)48-39(26-17-33-47(48)53)37-24-15-25-38-36(37)23-16-27-40(38)51-55-49(34-18-5-3-6-19-34)54-50(56-51)35-20-7-4-8-21-35/h3-33,49H,1-2H3,(H,54,55,56)
InChIKeySAKOUUOGFSTMEL-UHFFFAOYSA-N
MW717.92 g/mol
LogP12.00
Rot. Bonds4

About 2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 146495104) has the molecular formula C53H39N3 and a molecular weight of 717.92 g/mol. Its IUPAC name is 2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID146495104
Molecular FormulaC53H39N3
Molecular Weight717.92 g/mol
Exact Mass717.31
IUPAC Name2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cccc5c(C6=NC(c7ccccc7)N=C(c7ccccc7)N6)cccc45)cccc32)c2ccccc21
InChIInChI=1S/C53H39N3/c1-52(2)43-29-11-13-31-45(43)53(46-32-14-12-30-44(46)52)42-28-10-9-22-41(42)48-39(26-17-33-47(48)53)37-24-15-25-38-36(37)23-16-27-40(38)51-55-49(34-18-5-3-6-19-34)54-50(56-51)35-20-7-4-8-21-35/h3-33,49H,1-2H3,(H,54,55,56)
InChIKeySAKOUUOGFSTMEL-UHFFFAOYSA-N
XLogP12.00
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.92
LogP ≤ 512.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-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-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 155372418
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142504632
2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine;hydroiodide
CID 156734683
5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 139314510
4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 145377617
4-(4-phenanthren-9-ylphenyl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931849
4-[6-(9,9-dimethylfluoren-4-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961011
3-[3-[6-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]aniline
CID 146495382
2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931854
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167196177
5-[2-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 166961031
2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 152940475

Frequently Asked Questions

What is the IUPAC name of 2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 146495104) is 2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4cccc5c(C6=NC(c7ccccc7)N=C(c7ccccc7)N6)cccc45)cccc32)c2ccccc21.
What is the InChIKey of 2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is SAKOUUOGFSTMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N3/c1-52(2)43-29-11-13-31-45(43)53(46-32-14-12-30-44(46)52)42-28-10-9-22-41(42)48-39(26-17-33-47(48)53)37-24-15-25-38-36(37)23-16-27-40(38)51-55-49(34-18-5-3-6-19-34)54-50(56-51)35-20-7-4-8-21-35/h3-33,49H,1-2H3,(H,54,55,56).
What are the key properties of 2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 717.92 g/mol, XLogP of 12.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 146495104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).