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

C38H25F2N3 — CID 135247118

IUPAC2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc(C4=NC(c5ccccc5)N=C(c5ccccc5)N4)c4ccccc34)cc21
InChIInChI=1S/C38H25F2N3/c39-38(40)33-18-10-9-17-30(33)31-20-19-26(23-34(31)38)27-21-22-32(29-16-8-7-15-28(27)29)37-42-35(24-11-3-1-4-12-24)41-36(43-37)25-13-5-2-6-14-25/h1-23,35H,(H,41,42,43)
InChIKeyKFVFNLGXXJUJCL-UHFFFAOYSA-N
MW561.64 g/mol
LogP9.12
Rot. Bonds4

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

2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 135247118) has the molecular formula C38H25F2N3 and a molecular weight of 561.64 g/mol. Its IUPAC name is 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID135247118
Molecular FormulaC38H25F2N3
Molecular Weight561.64 g/mol
Exact Mass561.20
IUPAC Name2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc(C4=NC(c5ccccc5)N=C(c5ccccc5)N4)c4ccccc34)cc21
InChIInChI=1S/C38H25F2N3/c39-38(40)33-18-10-9-17-30(33)31-20-19-26(23-34(31)38)27-21-22-32(29-16-8-7-15-28(27)29)37-42-35(24-11-3-1-4-12-24)41-36(43-37)25-13-5-2-6-14-25/h1-23,35H,(H,41,42,43)
InChIKeyKFVFNLGXXJUJCL-UHFFFAOYSA-N
XLogP9.12
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.64
LogP ≤ 59.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 135247118) is 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is FC1(F)c2ccccc2-c2ccc(-c3ccc(C4=NC(c5ccccc5)N=C(c5ccccc5)N4)c4ccccc34)cc21.
What is the InChIKey of 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is KFVFNLGXXJUJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25F2N3/c39-38(40)33-18-10-9-17-30(33)31-20-19-26(23-34(31)38)27-21-22-32(29-16-8-7-15-28(27)29)37-42-35(24-11-3-1-4-12-24)41-36(43-37)25-13-5-2-6-14-25/h1-23,35H,(H,41,42,43).
What are the key properties of 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 561.64 g/mol, XLogP of 9.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 135247118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).