2-(7-diphenylphosphoryl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3-oxazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole

C197H119F10N22O3PS2 — CID 161154460

IUPAC2-(7-diphenylphosphoryl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3-oxazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole
SMILESFC1(F)c2cc(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.FC1(F)c2cc(-c3ccc(-c4nnc(-c5ccccc5)s4)cc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.FC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3ncc(-c4ccccc4)o3)cc21.FC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nnc(-c4ccccc4)s3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C(F)(F)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1-2
InChIInChI=1S/C42H25F2N5O.C42H25F2N5S.C40H26F2N3OP.C37H22F2N4O.C36H21F2N5S/c2*43-42(44)35-24-31(26-16-18-30(19-17-26)41-49-48-40(50-41)29-14-8-3-9-15-29)20-22-33(35)34-23-21-32(25-36(34)42)39-46-37(27-10-4-1-5-11-27)45-38(47-39)28-12-6-2-7-13-28;41-40(42)35-25-29(39-44-37(27-13-5-1-6-14-27)43-38(45-39)28-15-7-2-8-16-28)21-23-33(35)34-24-22-32(26-36(34)40)47(46,30-17-9-3-10-18-30)31-19-11-4-12-20-31;38-37(39)30-20-26(35-42-33(24-12-6-2-7-13-24)41-34(43-35)25-14-8-3-9-15-25)16-18-28(30)29-19-17-27(21-31(29)37)36-40-22-32(44-36)23-10-4-1-5-11-23;37-36(38)29-20-25(33-40-31(22-10-4-1-5-11-22)39-32(41-33)23-12-6-2-7-13-23)16-18-27(29)28-19-17-26(21-30(28)36)35-43-42-34(44-35)24-14-8-3-9-15-24/h2*1-25H;1-26H;1-22H;1-21H
InChIKeyUPCMVPNZBYFFRD-UHFFFAOYSA-N
MW3127.36 g/mol
LogP48.35
Rot. Bonds28

About 2-(7-diphenylphosphoryl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3-oxazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole

2-(7-diphenylphosphoryl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3-oxazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole (PubChem CID 161154460) has the molecular formula C197H119F10N22O3PS2 and a molecular weight of 3127.36 g/mol. Its IUPAC name is 2-(7-diphenylphosphoryl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3-oxazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(7-diphenylphosphoryl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3-oxazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole
PubChem CID161154460
Molecular FormulaC197H119F10N22O3PS2
Molecular Weight3127.36 g/mol
Exact Mass3124.89
IUPAC Name2-(7-diphenylphosphoryl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3-oxazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole
SMILESFC1(F)c2cc(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.FC1(F)c2cc(-c3ccc(-c4nnc(-c5ccccc5)s4)cc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.FC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3ncc(-c4ccccc4)o3)cc21.FC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nnc(-c4ccccc4)s3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C(F)(F)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1-2
InChIInChI=1S/C42H25F2N5O.C42H25F2N5S.C40H26F2N3OP.C37H22F2N4O.C36H21F2N5S/c2*43-42(44)35-24-31(26-16-18-30(19-17-26)41-49-48-40(50-41)29-14-8-3-9-15-29)20-22-33(35)34-23-21-32(25-36(34)42)39-46-37(27-10-4-1-5-11-27)45-38(47-39)28-12-6-2-7-13-28;41-40(42)35-25-29(39-44-37(27-13-5-1-6-14-27)43-38(45-39)28-15-7-2-8-16-28)21-23-33(35)34-24-22-32(26-36(34)40)47(46,30-17-9-3-10-18-30)31-19-11-4-12-20-31;38-37(39)30-20-26(35-42-33(24-12-6-2-7-13-24)41-34(43-35)25-14-8-3-9-15-25)16-18-28(30)29-19-17-27(21-31(29)37)36-40-22-32(44-36)23-10-4-1-5-11-23;37-36(38)29-20-25(33-40-31(22-10-4-1-5-11-22)39-32(41-33)23-12-6-2-7-13-23)16-18-27(29)28-19-17-26(21-30(28)36)35-43-42-34(44-35)24-14-8-3-9-15-24/h2*1-25H;1-26H;1-22H;1-21H
InChIKeyUPCMVPNZBYFFRD-UHFFFAOYSA-N
XLogP48.35
TPSA326.93 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003127.36
LogP ≤ 548.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(7-diphenylphosphoryl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3-oxazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole with MolForge

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Related Compounds

2-(6-Diphenylphosphoryl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-thiadiazole;8-[4-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-(4-quinolin-8-ylphenyl)phenyl]phenyl]quinoline;8-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-quinolin-8-ylphenyl]quinoline
CID 159081081

Frequently Asked Questions

What is the IUPAC name of 2-(7-diphenylphosphoryl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3-oxazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-(7-diphenylphosphoryl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3-oxazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole (CID 161154460) is 2-(7-diphenylphosphoryl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3-oxazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(7-diphenylphosphoryl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3-oxazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(7-diphenylphosphoryl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3-oxazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole is FC1(F)c2cc(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.FC1(F)c2cc(-c3ccc(-c4nnc(-c5ccccc5)s4)cc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.FC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3ncc(-c4ccccc4)o3)cc21.FC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nnc(-c4ccccc4)s3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C(F)(F)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1-2.
What is the InChIKey of 2-(7-diphenylphosphoryl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3-oxazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole?
The InChIKey is UPCMVPNZBYFFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25F2N5O.C42H25F2N5S.C40H26F2N3OP.C37H22F2N4O.C36H21F2N5S/c2*43-42(44)35-24-31(26-16-18-30(19-17-26)41-49-48-40(50-41)29-14-8-3-9-15-29)20-22-33(35)34-23-21-32(25-36(34)42)39-46-37(27-10-4-1-5-11-27)45-38(47-39)28-12-6-2-7-13-28;41-40(42)35-25-29(39-44-37(27-13-5-1-6-14-27)43-38(45-39)28-15-7-2-8-16-28)21-23-33(35)34-24-22-32(26-36(34)40)47(46,30-17-9-3-10-18-30)31-19-11-4-12-20-31;38-37(39)30-20-26(35-42-33(24-12-6-2-7-13-24)41-34(43-35)25-14-8-3-9-15-25)16-18-28(30)29-19-17-27(21-31(29)37)36-40-22-32(44-36)23-10-4-1-5-11-23;37-36(38)29-20-25(33-40-31(22-10-4-1-5-11-22)39-32(41-33)23-12-6-2-7-13-23)16-18-27(29)28-19-17-26(21-30(28)36)35-43-42-34(44-35)24-14-8-3-9-15-24/h2*1-25H;1-26H;1-22H;1-21H.
What are the key properties of 2-(7-diphenylphosphoryl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3-oxazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole?
2-(7-diphenylphosphoryl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3-oxazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole has a molecular weight of 3127.36 g/mol, XLogP of 48.35, 28 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-diphenylphosphoryl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3-oxazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenyl]-5-phenyl-1,3,4-thiadiazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 161154460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).