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

C53H41N3 — CID 142504521

IUPAC6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(C4=NC(c5ccccc5)NC(c5ccc(-c6ccc7ccccc7c6)cc5)N4)cccc32)c2ccccc21
InChIInChI=1S/C53H41N3/c1-52(2)43-22-10-12-24-45(43)53(46-25-13-11-23-44(46)52)42-21-9-8-19-40(42)48-41(20-14-26-47(48)53)51-55-49(36-16-4-3-5-17-36)54-50(56-51)37-30-27-35(28-31-37)39-32-29-34-15-6-7-18-38(34)33-39/h3-33,49-50,54H,1-2H3,(H,55,56)
InChIKeyIECUESUTTMDSCM-UHFFFAOYSA-N
MW719.93 g/mol
LogP11.85
Rot. Bonds4

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

6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 142504521) has the molecular formula C53H41N3 and a molecular weight of 719.93 g/mol. Its IUPAC name is 6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID142504521
Molecular FormulaC53H41N3
Molecular Weight719.93 g/mol
Exact Mass719.33
IUPAC Name6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(C4=NC(c5ccccc5)NC(c5ccc(-c6ccc7ccccc7c6)cc5)N4)cccc32)c2ccccc21
InChIInChI=1S/C53H41N3/c1-52(2)43-22-10-12-24-45(43)53(46-25-13-11-23-44(46)52)42-21-9-8-19-40(42)48-41(20-14-26-47(48)53)51-55-49(36-16-4-3-5-17-36)54-50(56-51)37-30-27-35(28-31-37)39-32-29-34-15-6-7-18-38(34)33-39/h3-33,49-50,54H,1-2H3,(H,55,56)
InChIKeyIECUESUTTMDSCM-UHFFFAOYSA-N
XLogP11.85
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.93
LogP ≤ 511.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine with MolForge

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Related Compounds

4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146321879
6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099540
6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 126543844
2-(2-benzo[a]anthracen-7-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167252922
3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole
CID 155372433
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996
2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 170410069
2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099536
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167196535
6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-2-phenanthren-9-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 142504715
6-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 126543719
2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100994

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 142504521) is 6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is CC1(C)c2ccccc2C2(c3ccccc3-c3c(C4=NC(c5ccccc5)NC(c5ccc(-c6ccc7ccccc7c6)cc5)N4)cccc32)c2ccccc21.
What is the InChIKey of 6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is IECUESUTTMDSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41N3/c1-52(2)43-22-10-12-24-45(43)53(46-25-13-11-23-44(46)52)42-21-9-8-19-40(42)48-41(20-14-26-47(48)53)51-55-49(36-16-4-3-5-17-36)54-50(56-51)37-30-27-35(28-31-37)39-32-29-34-15-6-7-18-38(34)33-39/h3-33,49-50,54H,1-2H3,(H,55,56).
What are the key properties of 6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 719.93 g/mol, XLogP of 11.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 142504521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).