2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine

C33H20F2N4 — CID 134271878

IUPAC2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESFC1(F)c2cc(-c3cccnc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C33H20F2N4/c34-33(35)28-18-23(25-12-7-17-36-20-25)13-15-26(28)27-16-14-24(19-29(27)33)32-38-30(21-8-3-1-4-9-21)37-31(39-32)22-10-5-2-6-11-22/h1-20H
InChIKeyPPKBICWVQQFCSC-UHFFFAOYSA-N
MW510.55 g/mol
LogP8.06
Rot. Bonds4

About 2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine

2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 134271878) has the molecular formula C33H20F2N4 and a molecular weight of 510.55 g/mol. Its IUPAC name is 2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID134271878
Molecular FormulaC33H20F2N4
Molecular Weight510.55 g/mol
Exact Mass510.17
IUPAC Name2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESFC1(F)c2cc(-c3cccnc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C33H20F2N4/c34-33(35)28-18-23(25-12-7-17-36-20-25)13-15-26(28)27-16-14-24(19-29(27)33)32-38-30(21-8-3-1-4-9-21)37-31(39-32)22-10-5-2-6-11-22/h1-20H
InChIKeyPPKBICWVQQFCSC-UHFFFAOYSA-N
XLogP8.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.55
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9,9-difluoro-7-pyridin-4-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 134271879
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 130261378
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632536
2,4-bis(4-pyridin-3-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 130261410
2-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146633258
2,4-diphenyl-6-[3-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,3,5-triazine
CID 164793285
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 146632746
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine
CID 146633320
2,4-bis(3-phenylphenyl)-6-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine;2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 157053825
2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 130261375
2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine
CID 137452000
2-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 139306583

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 134271878) is 2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine is FC1(F)c2cc(-c3cccnc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is PPKBICWVQQFCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20F2N4/c34-33(35)28-18-23(25-12-7-17-36-20-25)13-15-26(28)27-16-14-24(19-29(27)33)32-38-30(21-8-3-1-4-9-21)37-31(39-32)22-10-5-2-6-11-22/h1-20H.
What are the key properties of 2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 510.55 g/mol, XLogP of 8.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 134271878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).