2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine

C47H35N3 — CID 157292922

IUPAC2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4ccccc34)ccc1-2
InChIInChI=1S/C47H35N3/c1-30-18-24-40-41-25-23-35(29-43(41)47(2,3)42(40)28-30)37-27-26-36(38-16-10-11-17-39(37)38)31-19-21-34(22-20-31)46-49-44(32-12-6-4-7-13-32)48-45(50-46)33-14-8-5-9-15-33/h4-29H,1-3H3
InChIKeyINWUWGCBCFRBAZ-UHFFFAOYSA-N
MW641.82 g/mol
LogP11.97
Rot. Bonds5

About 2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine (PubChem CID 157292922) has the molecular formula C47H35N3 and a molecular weight of 641.82 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
PubChem CID157292922
Molecular FormulaC47H35N3
Molecular Weight641.82 g/mol
Exact Mass641.28
IUPAC Name2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4ccccc34)ccc1-2
InChIInChI=1S/C47H35N3/c1-30-18-24-40-41-25-23-35(29-43(41)47(2,3)42(40)28-30)37-27-26-36(38-16-10-11-17-39(37)38)31-19-21-34(22-20-31)46-49-44(32-12-6-4-7-13-32)48-45(50-46)33-14-8-5-9-15-33/h4-29H,1-3H3
InChIKeyINWUWGCBCFRBAZ-UHFFFAOYSA-N
XLogP11.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.82
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 20724533
2-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129228023
2-(9,9-dimethylfluoren-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 162504612
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58273805
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 118427220
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778832
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-6-(3,4-diphenylphenyl)-2-phenylpyrimidine
CID 168779151
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene
CID 143227241
2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine
CID 162061820

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine (CID 157292922) is 2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine is Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4ccccc34)ccc1-2.
What is the InChIKey of 2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The InChIKey is INWUWGCBCFRBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3/c1-30-18-24-40-41-25-23-35(29-43(41)47(2,3)42(40)28-30)37-27-26-36(38-16-10-11-17-39(37)38)31-19-21-34(22-20-31)46-49-44(32-12-6-4-7-13-32)48-45(50-46)33-14-8-5-9-15-33/h4-29H,1-3H3.
What are the key properties of 2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine has a molecular weight of 641.82 g/mol, XLogP of 11.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 157292922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).