2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine

C49H37N5 — CID 122415950

IUPAC2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)nc(-c4cccc5c4C(C)(C)c4ccccc4-5)n3)c21
InChIInChI=1S/C49H37N5/c1-48(2)39-21-7-5-15-33(39)35-17-13-19-37(43(35)48)46-52-45(32-28-30(41-23-9-11-25-50-41)27-31(29-32)42-24-10-12-26-51-42)53-47(54-46)38-20-14-18-36-34-16-6-8-22-40(34)49(3,4)44(36)38/h5-29H,1-4H3
InChIKeyRTRRVSCRNKVIDB-UHFFFAOYSA-N
MW695.87 g/mol
LogP11.61
Rot. Bonds5

About 2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine

2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine (PubChem CID 122415950) has the molecular formula C49H37N5 and a molecular weight of 695.87 g/mol. Its IUPAC name is 2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine
PubChem CID122415950
Molecular FormulaC49H37N5
Molecular Weight695.87 g/mol
Exact Mass695.30
IUPAC Name2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)nc(-c4cccc5c4C(C)(C)c4ccccc4-5)n3)c21
InChIInChI=1S/C49H37N5/c1-48(2)39-21-7-5-15-33(39)35-17-13-19-37(43(35)48)46-52-45(32-28-30(41-23-9-11-25-50-41)27-31(29-32)42-24-10-12-26-51-42)53-47(54-46)38-20-14-18-36-34-16-6-8-22-40(34)49(3,4)44(36)38/h5-29H,1-4H3
InChIKeyRTRRVSCRNKVIDB-UHFFFAOYSA-N
XLogP11.61
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.87
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 129292703
2-(9,9-dimethylfluoren-1-yl)-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 126544515
2-[3-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150867
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
2-(9,9-dimethylfluoren-1-yl)-4-(3,5-diphenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 135298275
7-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171421532
2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-(11-pyrimidin-2-yl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl)-1,3,5-triazine
CID 165150982
4-[4-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 167344597
8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline
CID 126544539
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine
CID 168777700
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 118582359

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine (CID 122415950) is 2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)nc(-c4cccc5c4C(C)(C)c4ccccc4-5)n3)c21.
What is the InChIKey of 2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine?
The InChIKey is RTRRVSCRNKVIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N5/c1-48(2)39-21-7-5-15-33(39)35-17-13-19-37(43(35)48)46-52-45(32-28-30(41-23-9-11-25-50-41)27-31(29-32)42-24-10-12-26-51-42)53-47(54-46)38-20-14-18-36-34-16-6-8-22-40(34)49(3,4)44(36)38/h5-29H,1-4H3.
What are the key properties of 2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine?
2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine has a molecular weight of 695.87 g/mol, XLogP of 11.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(9,9-dimethylfluoren-1-yl)-6-(3,5-dipyridin-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 122415950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).