2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane

C50H39N3 — CID 161494558

IUPAC2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane
SMILESC.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5c4Cc4ccccc4-5)c3)cc21
InChIInChI=1S/C49H35N3.CH4/c1-49(2)44-23-12-11-20-41(44)42-25-24-33(30-45(42)49)35-26-36(39-21-13-22-40-38-19-10-9-18-34(38)29-43(39)40)28-37(27-35)48-51-46(31-14-5-3-6-15-31)50-47(52-48)32-16-7-4-8-17-32;/h3-28,30H,29H2,1-2H3;1H4
InChIKeyWGAJTAQUWYTUNA-UHFFFAOYSA-N
MW681.88 g/mol
LogP12.72
Rot. Bonds5

About 2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane

2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane (PubChem CID 161494558) has the molecular formula C50H39N3 and a molecular weight of 681.88 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane.

Molecular Properties

Compound Name2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane
PubChem CID161494558
Molecular FormulaC50H39N3
Molecular Weight681.88 g/mol
Exact Mass681.31
IUPAC Name2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane
SMILESC.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5c4Cc4ccccc4-5)c3)cc21
InChIInChI=1S/C49H35N3.CH4/c1-49(2)44-23-12-11-20-41(44)42-25-24-33(30-45(42)49)35-26-36(39-21-13-22-40-38-19-10-9-18-34(38)29-43(39)40)28-37(27-35)48-51-46(31-14-5-3-6-15-31)50-47(52-48)32-16-7-4-8-17-32;/h3-28,30H,29H2,1-2H3;1H4
InChIKeyWGAJTAQUWYTUNA-UHFFFAOYSA-N
XLogP12.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.88
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 118685337
2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-phenyl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine
CID 159653437
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine
CID 158720930
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine
CID 118685410
2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine
CID 161346190
2-[4-[8-(9,9-dimethylfluoren-2-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 159284999
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 157184888
2-[3-[6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241565
2-[3-[5-(9,9-dimethylfluoren-2-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241569
2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 126609528
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-[4-(9H-fluoren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154951427

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane?
The IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane (CID 161494558) is 2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane.
What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane?
The canonical SMILES for 2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane is C.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5c4Cc4ccccc4-5)c3)cc21.
What is the InChIKey of 2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane?
The InChIKey is WGAJTAQUWYTUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3.CH4/c1-49(2)44-23-12-11-20-41(44)42-25-24-33(30-45(42)49)35-26-36(39-21-13-22-40-38-19-10-9-18-34(38)29-43(39)40)28-37(27-35)48-51-46(31-14-5-3-6-15-31)50-47(52-48)32-16-7-4-8-17-32;/h3-28,30H,29H2,1-2H3;1H4.
What are the key properties of 2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane?
2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane has a molecular weight of 681.88 g/mol, XLogP of 12.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane is sourced from PubChem (CID 161494558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).