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

C49H35N3 — CID 118685409

IUPAC2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5Cc5c(-c7ccccc7)cccc5-6)n4)c3)ccc21
InChIInChI=1S/C49H35N3/c1-49(2)44-25-10-9-20-39(44)43-29-34(26-27-45(43)49)33-18-11-19-35(28-33)47-50-46(32-16-7-4-8-17-32)51-48(52-47)40-24-13-23-38-37-22-12-21-36(41(37)30-42(38)40)31-14-5-3-6-15-31/h3-29H,30H2,1-2H3
InChIKeyMWWYWJDHPHEYTE-UHFFFAOYSA-N
MW665.84 g/mol
LogP12.08
Rot. Bonds5

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

2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine (PubChem CID 118685409) has the molecular formula C49H35N3 and a molecular weight of 665.84 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine
PubChem CID118685409
Molecular FormulaC49H35N3
Molecular Weight665.84 g/mol
Exact Mass665.28
IUPAC Name2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5Cc5c(-c7ccccc7)cccc5-6)n4)c3)ccc21
InChIInChI=1S/C49H35N3/c1-49(2)44-25-10-9-20-39(44)43-29-34(26-27-45(43)49)33-18-11-19-35(28-33)47-50-46(32-16-7-4-8-17-32)51-48(52-47)40-24-13-23-38-37-22-12-21-36(41(37)30-42(38)40)31-14-5-3-6-15-31/h3-29H,30H2,1-2H3
InChIKeyMWWYWJDHPHEYTE-UHFFFAOYSA-N
XLogP12.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-[4-[8-(9,9-dimethylfluoren-3-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241556
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-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160864265
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-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
2-[4-[8-(9,9-dimethylfluoren-2-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 159284999
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216
bis(2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine);2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161026217
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine
CID 118685410
2-(9,9-dimethylfluoren-3-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine;4-(9,9-dimethylfluoren-3-yl)-2-phenyl-6-[8-(4-phenylphenyl)-9H-fluoren-1-yl]-1,4-dihydro-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine
CID 158622998
2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine
CID 161346190
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154613773

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine?
The IUPAC name of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine (CID 118685409) is 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5Cc5c(-c7ccccc7)cccc5-6)n4)c3)ccc21.
What is the InChIKey of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine?
The InChIKey is MWWYWJDHPHEYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3/c1-49(2)44-25-10-9-20-39(44)43-29-34(26-27-45(43)49)33-18-11-19-35(28-33)47-50-46(32-16-7-4-8-17-32)51-48(52-47)40-24-13-23-38-37-22-12-21-36(41(37)30-42(38)40)31-14-5-3-6-15-31/h3-29H,30H2,1-2H3.
What are the key properties of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine?
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine has a molecular weight of 665.84 g/mol, XLogP of 12.08, 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-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine is sourced from PubChem (CID 118685409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).