2-(9,9-dimethylfluoren-2-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-6-phenyl-1,3,5-triazine

C45H31FN6 — CID 162486320

IUPAC2-(9,9-dimethylfluoren-2-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(F)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)cc21
InChIInChI=1S/C45H31FN6/c1-45(2)36-21-13-12-20-33(36)34-24-22-32(27-37(34)45)43-49-39(28-14-6-3-7-15-28)48-42(50-43)31-23-25-38(46)35(26-31)44-51-40(29-16-8-4-9-17-29)47-41(52-44)30-18-10-5-11-19-30/h3-27H,1-2H3
InChIKeyYFMYEYBVLOYOOE-UHFFFAOYSA-N
MW674.78 g/mol
LogP10.50
Rot. Bonds6

About 2-(9,9-dimethylfluoren-2-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-6-phenyl-1,3,5-triazine

2-(9,9-dimethylfluoren-2-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-6-phenyl-1,3,5-triazine (PubChem CID 162486320) has the molecular formula C45H31FN6 and a molecular weight of 674.78 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-6-phenyl-1,3,5-triazine
PubChem CID162486320
Molecular FormulaC45H31FN6
Molecular Weight674.78 g/mol
Exact Mass674.26
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(F)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)cc21
InChIInChI=1S/C45H31FN6/c1-45(2)36-21-13-12-20-33(36)34-24-22-32(27-37(34)45)43-49-39(28-14-6-3-7-15-28)48-42(50-43)31-23-25-38(46)35(26-31)44-51-40(29-16-8-4-9-17-29)47-41(52-44)30-18-10-5-11-19-30/h3-27H,1-2H3
InChIKeyYFMYEYBVLOYOOE-UHFFFAOYSA-N
XLogP10.50
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.78
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-6-phenyl-1,3,5-triazine (CID 162486320) is 2-(9,9-dimethylfluoren-2-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(F)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is YFMYEYBVLOYOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31FN6/c1-45(2)36-21-13-12-20-33(36)34-24-22-32(27-37(34)45)43-49-39(28-14-6-3-7-15-28)48-42(50-43)31-23-25-38(46)35(26-31)44-51-40(29-16-8-4-9-17-29)47-41(52-44)30-18-10-5-11-19-30/h3-27H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-6-phenyl-1,3,5-triazine?
2-(9,9-dimethylfluoren-2-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 674.78 g/mol, XLogP of 10.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 162486320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).