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

C43H37N3 — CID 146359376

IUPAC2-(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
SMILESCC1(C)C2=C(C=CCC2)c2ccc(C3=NC(c4ccc5c(c4)C(C)(C)c4ccccc4-5)N=C(c4ccc5ccccc5c4)N3)cc21
InChIInChI=1S/C43H37N3/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/h5-9,11-15,17-25,40H,10,16H2,1-4H3,(H,44,45,46)
InChIKeyNJCLCXZWEHXZKM-UHFFFAOYSA-N
MW595.79 g/mol
LogP10.04
Rot. Bonds3

About 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

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 (PubChem CID 146359376) has the molecular formula C43H37N3 and a molecular weight of 595.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID146359376
Molecular FormulaC43H37N3
Molecular Weight595.79 g/mol
Exact Mass595.30
IUPAC Name2-(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
SMILESCC1(C)C2=C(C=CCC2)c2ccc(C3=NC(c4ccc5c(c4)C(C)(C)c4ccccc4-5)N=C(c4ccc5ccccc5c4)N3)cc21
InChIInChI=1S/C43H37N3/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/h5-9,11-15,17-25,40H,10,16H2,1-4H3,(H,44,45,46)
InChIKeyNJCLCXZWEHXZKM-UHFFFAOYSA-N
XLogP10.04
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.79
LogP ≤ 510.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
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-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 170412039
2-naphthalen-2-yl-6-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-2-yl-1,4-dihydro-1,3,5-triazine
CID 146321910
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427115
2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine
CID 175358146
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176588450
4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170410013
2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium
CID 144869007

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)C2=C(C=CCC2)c2ccc(C3=NC(c4ccc5c(c4)C(C)(C)c4ccccc4-5)N=C(c4ccc5ccccc5c4)N3)cc21.
What is the InChIKey of 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?
The InChIKey is NJCLCXZWEHXZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37N3/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/h5-9,11-15,17-25,40H,10,16H2,1-4H3,(H,44,45,46).
What are the key properties of 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?
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 has a molecular weight of 595.79 g/mol, XLogP of 10.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146359376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).