6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine

C55H47N3 — CID 145377608

IUPAC6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(C4=NC(c5ccc6ccccc6c5)NC(c5ccccc5)N4)c(C4=CCC5C(=C4)c4ccccc4C5(C)C)c3)ccc21
InChIInChI=1S/C55H47N3/c1-54(2)47-20-12-10-18-41(47)45-32-38(25-28-49(45)54)37-24-27-43(44(31-37)39-26-29-50-46(33-39)42-19-11-13-21-48(42)55(50,3)4)53-57-51(35-15-6-5-7-16-35)56-52(58-53)40-23-22-34-14-8-9-17-36(34)30-40/h5-28,30-33,50-52,56H,29H2,1-4H3,(H,57,58)
InChIKeyLULIEKFDGDJFRX-UHFFFAOYSA-N
MW750.00 g/mol
LogP12.93
Rot. Bonds5

About 6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine

6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 145377608) has the molecular formula C55H47N3 and a molecular weight of 750.00 g/mol. Its IUPAC name is 6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID145377608
Molecular FormulaC55H47N3
Molecular Weight750.00 g/mol
Exact Mass749.38
IUPAC Name6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(C4=NC(c5ccc6ccccc6c5)NC(c5ccccc5)N4)c(C4=CCC5C(=C4)c4ccccc4C5(C)C)c3)ccc21
InChIInChI=1S/C55H47N3/c1-54(2)47-20-12-10-18-41(47)45-32-38(25-28-49(45)54)37-24-27-43(44(31-37)39-26-29-50-46(33-39)42-19-11-13-21-48(42)55(50,3)4)53-57-51(35-15-6-5-7-16-35)56-52(58-53)40-23-22-34-14-8-9-17-36(34)30-40/h5-28,30-33,50-52,56H,29H2,1-4H3,(H,57,58)
InChIKeyLULIEKFDGDJFRX-UHFFFAOYSA-N
XLogP12.93
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.00
LogP ≤ 512.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine with MolForge

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Related Compounds

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-(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
6-[4-(4-chloronaphthalen-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166801479
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996
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
4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129157187
6-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)-5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenanthridine
CID 129201100
9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-14,14-dimethyl-5-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 144956940
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
7-[4-[1-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 139314232
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
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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 145377608) is 6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3ccc(C4=NC(c5ccc6ccccc6c5)NC(c5ccccc5)N4)c(C4=CCC5C(=C4)c4ccccc4C5(C)C)c3)ccc21.
What is the InChIKey of 6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is LULIEKFDGDJFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47N3/c1-54(2)47-20-12-10-18-41(47)45-32-38(25-28-49(45)54)37-24-27-43(44(31-37)39-26-29-50-46(33-39)42-19-11-13-21-48(42)55(50,3)4)53-57-51(35-15-6-5-7-16-35)56-52(58-53)40-23-22-34-14-8-9-17-36(34)30-40/h5-28,30-33,50-52,56H,29H2,1-4H3,(H,57,58).
What are the key properties of 6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 750.00 g/mol, XLogP of 12.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 145377608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).