2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine

C50H33N3O — CID 163466014

IUPAC2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-c5cccc6oc7cc8ccccc8cc7c56)cc4)nc(-c4ccc5ccccc5c4)n3)ccc21
InChIInChI=1S/C50H33N3O/c1-50(2)42-16-8-7-14-39(42)40-28-37(24-25-43(40)50)49-52-47(51-48(53-49)36-23-18-30-10-3-4-11-33(30)26-36)32-21-19-31(20-22-32)38-15-9-17-44-46(38)41-27-34-12-5-6-13-35(34)29-45(41)54-44/h3-29H,1-2H3
InChIKeyQYEYKYYTMVTOAN-UHFFFAOYSA-N
MW691.83 g/mol
LogP13.05
Rot. Bonds4

About 2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine

2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine (PubChem CID 163466014) has the molecular formula C50H33N3O and a molecular weight of 691.83 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine
PubChem CID163466014
Molecular FormulaC50H33N3O
Molecular Weight691.83 g/mol
Exact Mass691.26
IUPAC Name2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-c5cccc6oc7cc8ccccc8cc7c56)cc4)nc(-c4ccc5ccccc5c4)n3)ccc21
InChIInChI=1S/C50H33N3O/c1-50(2)42-16-8-7-14-39(42)40-28-37(24-25-43(40)50)49-52-47(51-48(53-49)36-23-18-30-10-3-4-11-33(30)26-36)32-21-19-31(20-22-32)38-15-9-17-44-46(38)41-27-34-12-5-6-13-35(34)29-45(41)54-44/h3-29H,1-2H3
InChIKeyQYEYKYYTMVTOAN-UHFFFAOYSA-N
XLogP13.05
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.83
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9,9-dimethylfluoren-3-yl)-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 170680861
2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134217923
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681215
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140907356
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine;bis(2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-4-yl-1,3,5-triazine);2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine
CID 163592235
2-(9,9-dimethylfluoren-3-yl)-4-[3-(9-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170681343
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681282
2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680833
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-naphthalen-2-yl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680970
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 171592076
2-(9,9-dimethylfluoren-3-yl)-4-[3-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134199124
2-(9,9-dimethylfluoren-3-yl)-4-(4-phenylphenyl)-6-[3-phenyl-5-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681229

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine (CID 163466014) is 2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-c5cccc6oc7cc8ccccc8cc7c56)cc4)nc(-c4ccc5ccccc5c4)n3)ccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine?
The InChIKey is QYEYKYYTMVTOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3O/c1-50(2)42-16-8-7-14-39(42)40-28-37(24-25-43(40)50)49-52-47(51-48(53-49)36-23-18-30-10-3-4-11-33(30)26-36)32-21-19-31(20-22-32)38-15-9-17-44-46(38)41-27-34-12-5-6-13-35(34)29-45(41)54-44/h3-29H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine?
2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine has a molecular weight of 691.83 g/mol, XLogP of 13.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 163466014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).