6-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine

C53H37F2N3 — CID 135247191

IUPAC6-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESFC1(F)c2ccc(C3=NC(c4ccccc4)NC(c4ccccc4)N3)cc2-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21
InChIInChI=1S/C53H37F2N3/c54-53(55)46-29-26-36(37-25-28-42-41-23-13-14-24-45(41)52(48(42)33-37,39-19-9-3-10-20-39)40-21-11-4-12-22-40)31-43(46)44-32-38(27-30-47(44)53)51-57-49(34-15-5-1-6-16-34)56-50(58-51)35-17-7-2-8-18-35/h1-33,49-50,56H,(H,57,58)
InChIKeyBBXDQVOYKYIUOB-UHFFFAOYSA-N
MW753.90 g/mol
LogP12.17
Rot. Bonds6

About 6-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine

6-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 135247191) has the molecular formula C53H37F2N3 and a molecular weight of 753.90 g/mol. Its IUPAC name is 6-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name6-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID135247191
Molecular FormulaC53H37F2N3
Molecular Weight753.90 g/mol
Exact Mass753.30
IUPAC Name6-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESFC1(F)c2ccc(C3=NC(c4ccccc4)NC(c4ccccc4)N3)cc2-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21
InChIInChI=1S/C53H37F2N3/c54-53(55)46-29-26-36(37-25-28-42-41-23-13-14-24-45(41)52(48(42)33-37,39-19-9-3-10-20-39)40-21-11-4-12-22-40)31-43(46)44-32-38(27-30-47(44)53)51-57-49(34-15-5-1-6-16-34)56-50(58-51)35-17-7-2-8-18-35/h1-33,49-50,56H,(H,57,58)
InChIKeyBBXDQVOYKYIUOB-UHFFFAOYSA-N
XLogP12.17
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.90
LogP ≤ 512.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 6-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 135247191) is 6-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 6-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 6-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is FC1(F)c2ccc(C3=NC(c4ccccc4)NC(c4ccccc4)N3)cc2-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21.
What is the InChIKey of 6-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is BBXDQVOYKYIUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37F2N3/c54-53(55)46-29-26-36(37-25-28-42-41-23-13-14-24-45(41)52(48(42)33-37,39-19-9-3-10-20-39)40-21-11-4-12-22-40)31-43(46)44-32-38(27-30-47(44)53)51-57-49(34-15-5-1-6-16-34)56-50(58-51)35-17-7-2-8-18-35/h1-33,49-50,56H,(H,57,58).
What are the key properties of 6-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
6-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 753.90 g/mol, XLogP of 12.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 135247191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).