2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium

C43H36N3+ — CID 144869007

IUPAC2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium
SMILESCC1(C)c2ccccc2-c2ccc(C3=NC(c4ccc5ccccc5c4)=NC(c4ccc5c(c4)C(C)(C)c4ccccc4-5)[NH2+]3)cc21
InChIInChI=1S/C43H35N3/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/h5-25,40H,1-4H3,(H,44,45,46)/p+1
InChIKeyVTCYZXLFUZFXGP-UHFFFAOYSA-O
MW594.78 g/mol
LogP8.92
Rot. Bonds3

About 2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium

2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium (PubChem CID 144869007) has the molecular formula C43H36N3+ and a molecular weight of 594.78 g/mol. Its IUPAC name is 2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium.

Molecular Properties

Compound Name2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium
PubChem CID144869007
Molecular FormulaC43H36N3+
Molecular Weight594.78 g/mol
Exact Mass594.29
IUPAC Name2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium
SMILESCC1(C)c2ccccc2-c2ccc(C3=NC(c4ccc5ccccc5c4)=NC(c4ccc5c(c4)C(C)(C)c4ccccc4-5)[NH2+]3)cc21
InChIInChI=1S/C43H35N3/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/h5-25,40H,1-4H3,(H,44,45,46)/p+1
InChIKeyVTCYZXLFUZFXGP-UHFFFAOYSA-O
XLogP8.92
TPSA41.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.78
LogP ≤ 58.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium 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-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine
CID 175358146
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
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
6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
CID 140710753
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176588450
2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
9-(9,9-dimethylfluoren-2-yl)-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene
CID 20822332
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
9,9,14,14-tetramethyl-6-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140710622

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium?
The IUPAC name of 2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium (CID 144869007) is 2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium.
What is the SMILES notation for 2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium?
The canonical SMILES for 2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium is CC1(C)c2ccccc2-c2ccc(C3=NC(c4ccc5ccccc5c4)=NC(c4ccc5c(c4)C(C)(C)c4ccccc4-5)[NH2+]3)cc21.
What is the InChIKey of 2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium?
The InChIKey is VTCYZXLFUZFXGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C43H35N3/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/h5-25,40H,1-4H3,(H,44,45,46)/p+1.
What are the key properties of 2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium?
2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium has a molecular weight of 594.78 g/mol, XLogP of 8.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-1-ium is sourced from PubChem (CID 144869007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).