4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine

C43H41N3 — CID 134603840

IUPAC4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(C3=NC(c4ccc5c(c4)C=CCC5)NC(C4=CC5C(C=C4)c4ccccc4C5(C)C)N3)cc21
InChIInChI=1S/C43H41N3/c1-42(2)35-15-9-7-13-31(35)33-21-19-29(24-37(33)42)40-44-39(28-18-17-26-11-5-6-12-27(26)23-28)45-41(46-40)30-20-22-34-32-14-8-10-16-36(32)43(3,4)38(34)25-30/h6-10,12-25,33,37,39-40,44H,5,11H2,1-4H3,(H,45,46)
InChIKeyCLAKPYQASOTQJG-UHFFFAOYSA-N
MW599.82 g/mol
LogP9.10
Rot. Bonds3

About 4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine

4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 134603840) has the molecular formula C43H41N3 and a molecular weight of 599.82 g/mol. Its IUPAC name is 4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID134603840
Molecular FormulaC43H41N3
Molecular Weight599.82 g/mol
Exact Mass599.33
IUPAC Name4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(C3=NC(c4ccc5c(c4)C=CCC5)NC(C4=CC5C(C=C4)c4ccccc4C5(C)C)N3)cc21
InChIInChI=1S/C43H41N3/c1-42(2)35-15-9-7-13-31(35)33-21-19-29(24-37(33)42)40-44-39(28-18-17-26-11-5-6-12-27(26)23-28)45-41(46-40)30-20-22-34-32-14-8-10-16-36(32)43(3,4)38(34)25-30/h6-10,12-25,33,37,39-40,44H,5,11H2,1-4H3,(H,45,46)
InChIKeyCLAKPYQASOTQJG-UHFFFAOYSA-N
XLogP9.10
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.82
LogP ≤ 59.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146531632
2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene
CID 70999827
6-cyclohexa-1,3-dien-1-yl-2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[2,1-h]fluorene-12,1'-cyclohexane]-1-yl)phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166902275
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
9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene
CID 143619795
4,6-diphenyl-2-(10-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylphenanthren-9-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099607
2-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine
CID 146359376
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
2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 147530419
7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile
CID 129099191
11-[6-(7,8-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine
CID 156549186

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine (CID 134603840) is 4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(C3=NC(c4ccc5c(c4)C=CCC5)NC(C4=CC5C(C=C4)c4ccccc4C5(C)C)N3)cc21.
What is the InChIKey of 4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is CLAKPYQASOTQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H41N3/c1-42(2)35-15-9-7-13-31(35)33-21-19-29(24-37(33)42)40-44-39(28-18-17-26-11-5-6-12-27(26)23-28)45-41(46-40)30-20-22-34-32-14-8-10-16-36(32)43(3,4)38(34)25-30/h6-10,12-25,33,37,39-40,44H,5,11H2,1-4H3,(H,45,46).
What are the key properties of 4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 599.82 g/mol, XLogP of 9.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 134603840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).