2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

C48H33N3 — CID 118427208

IUPAC2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c4ccccc34)c21
InChIInChI=1S/C48H33N3/c1-48(2)43-21-10-9-18-39(43)41-20-11-19-40(44(41)48)38-26-27-42(37-17-8-7-16-36(37)38)47-50-45(34-24-22-30-12-3-5-14-32(30)28-34)49-46(51-47)35-25-23-31-13-4-6-15-33(31)29-35/h3-29H,1-2H3
InChIKeySNZAWECKQMPIHB-UHFFFAOYSA-N
MW651.81 g/mol
LogP12.31
Rot. Bonds4

About 2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 118427208) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID118427208
Molecular FormulaC48H33N3
Molecular Weight651.81 g/mol
Exact Mass651.27
IUPAC Name2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c4ccccc34)c21
InChIInChI=1S/C48H33N3/c1-48(2)43-21-10-9-18-39(43)41-20-11-19-40(44(41)48)38-26-27-42(37-17-8-7-16-36(37)38)47-50-45(34-24-22-30-12-3-5-14-32(30)28-34)49-46(51-47)35-25-23-31-13-4-6-15-33(31)29-35/h3-29H,1-2H3
InChIKeySNZAWECKQMPIHB-UHFFFAOYSA-N
XLogP12.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine with MolForge

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Related Compounds

2-[2-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-di(phenanthren-2-yl)-1,3,5-triazine
CID 118426887
4-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168779099
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)-4-naphthalen-2-yl-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176588450
2-chrysen-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-(4-chrysen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-chrysen-4-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 167686287
2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465661
2-[7-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118426885
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176588323
2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 170927879
2,4-dinaphthalen-1-yl-6-[6-(9,9'-spirobi[fluorene]-1'-yl)naphthalen-2-yl]-1,3,5-triazine
CID 146648292
2-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-4-(3-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168778076
2,4-bis(4-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-yl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;methane
CID 158325771

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 118427208) is 2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is CC1(C)c2ccccc2-c2cccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c4ccccc34)c21.
What is the InChIKey of 2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is SNZAWECKQMPIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-48(2)43-21-10-9-18-39(43)41-20-11-19-40(44(41)48)38-26-27-42(37-17-8-7-16-36(37)38)47-50-45(34-24-22-30-12-3-5-14-32(30)28-34)49-46(51-47)35-25-23-31-13-4-6-15-33(31)29-35/h3-29H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 651.81 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 118427208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).