2-(9,9-dimethylfluoren-1-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine

C56H37N3O — CID 134199130

IUPAC2-(9,9-dimethylfluoren-1-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6oc7ccc(-c8cc9ccccc9c9ccccc89)cc7c56)c4)n3)c21
InChIInChI=1S/C56H37N3O/c1-56(2)48-27-11-10-23-43(48)44-25-13-26-45(52(44)56)55-58-53(34-15-4-3-5-16-34)57-54(59-55)38-19-12-18-35(31-38)40-24-14-28-50-51(40)47-33-37(29-30-49(47)60-50)46-32-36-17-6-7-20-39(36)41-21-8-9-22-42(41)46/h3-33H,1-2H3
InChIKeyJRQXZDFGZIFWNY-UHFFFAOYSA-N
MW767.93 g/mol
LogP14.72
Rot. Bonds5

About 2-(9,9-dimethylfluoren-1-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine

2-(9,9-dimethylfluoren-1-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 134199130) has the molecular formula C56H37N3O and a molecular weight of 767.93 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-1-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-1-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID134199130
Molecular FormulaC56H37N3O
Molecular Weight767.93 g/mol
Exact Mass767.29
IUPAC Name2-(9,9-dimethylfluoren-1-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6oc7ccc(-c8cc9ccccc9c9ccccc89)cc7c56)c4)n3)c21
InChIInChI=1S/C56H37N3O/c1-56(2)48-27-11-10-23-43(48)44-25-13-26-45(52(44)56)55-58-53(34-15-4-3-5-16-34)57-54(59-55)38-19-12-18-35(31-38)40-24-14-28-50-51(40)47-33-37(29-30-49(47)60-50)46-32-36-17-6-7-20-39(36)41-21-8-9-22-42(41)46/h3-33H,1-2H3
InChIKeyJRQXZDFGZIFWNY-UHFFFAOYSA-N
XLogP14.72
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.93
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 140946336
2-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369077
2-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369552
2-[3-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenanthren-9-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680966
2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 140946390
2-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166002414
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166002481
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166003177
2-(9,9-dimethylfluoren-3-yl)-4-[3-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134199124
2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134198849
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198600
2-(9,9-dimethylfluoren-1-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680820

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 134199130) is 2-(9,9-dimethylfluoren-1-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-1-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-1-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6oc7ccc(-c8cc9ccccc9c9ccccc89)cc7c56)c4)n3)c21.
What is the InChIKey of 2-(9,9-dimethylfluoren-1-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is JRQXZDFGZIFWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3O/c1-56(2)48-27-11-10-23-43(48)44-25-13-26-45(52(44)56)55-58-53(34-15-4-3-5-16-34)57-54(59-55)38-19-12-18-35(31-38)40-24-14-28-50-51(40)47-33-37(29-30-49(47)60-50)46-32-36-17-6-7-20-39(36)41-21-8-9-22-42(41)46/h3-33H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-1-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-(9,9-dimethylfluoren-1-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 767.93 g/mol, XLogP of 14.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-1-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 134199130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).