2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine

C45H30N4 — CID 137452000

IUPAC2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(C4(c5cccc(-c6cccnc6)c5)c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C45H30N4/c1-3-14-31(15-4-1)42-47-43(32-16-5-2-6-17-32)49-44(48-42)34-19-12-22-37(29-34)45(36-21-11-18-33(28-36)35-20-13-27-46-30-35)40-25-9-7-23-38(40)39-24-8-10-26-41(39)45/h1-30H
InChIKeyOKLRZONDPOEQJS-UHFFFAOYSA-N
MW626.76 g/mol
LogP10.30
Rot. Bonds6

About 2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine (PubChem CID 137452000) has the molecular formula C45H30N4 and a molecular weight of 626.76 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine
PubChem CID137452000
Molecular FormulaC45H30N4
Molecular Weight626.76 g/mol
Exact Mass626.25
IUPAC Name2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(C4(c5cccc(-c6cccnc6)c5)c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C45H30N4/c1-3-14-31(15-4-1)42-47-43(32-16-5-2-6-17-32)49-44(48-42)34-19-12-22-37(29-34)45(36-21-11-18-33(28-36)35-20-13-27-46-30-35)40-25-9-7-23-38(40)39-24-8-10-26-41(39)45/h1-30H
InChIKeyOKLRZONDPOEQJS-UHFFFAOYSA-N
XLogP10.30
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146631972
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020
2-(9,9-diphenyl-7-pyridin-3-ylfluoren-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-4-ylfluoren-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-4-ylfluoren-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-4-ylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;4,6-diphenyl-2-[3-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]phenyl]pyrimidine;bis(2,4-diphenyl-6-[3-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine);2,4-diphenyl-6-[4-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine
CID 157179986
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-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 159513755
4-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146631917
4-[4-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 146633222
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
bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)
CID 162253673

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine (CID 137452000) is 2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(C4(c5cccc(-c6cccnc6)c5)c5ccccc5-c5ccccc54)c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine?
The InChIKey is OKLRZONDPOEQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4/c1-3-14-31(15-4-1)42-47-43(32-16-5-2-6-17-32)49-44(48-42)34-19-12-22-37(29-34)45(36-21-11-18-33(28-36)35-20-13-27-46-30-35)40-25-9-7-23-38(40)39-24-8-10-26-41(39)45/h1-30H.
What are the key properties of 2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine has a molecular weight of 626.76 g/mol, XLogP of 10.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-[9-(3-pyridin-3-ylphenyl)fluoren-9-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 137452000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).