2-(3'-propyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-bis(trifluoromethyl)-1,3,5-triazine

C33H21F6N3 — CID 91214801

IUPAC2-(3'-propyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-bis(trifluoromethyl)-1,3,5-triazine
SMILESCCCc1cc2c(cc1-c1nc(C(F)(F)F)nc(C(F)(F)F)n1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C33H21F6N3/c1-2-9-18-16-23-21-12-5-8-15-26(21)31(24-13-6-3-10-19(24)20-11-4-7-14-25(20)31)27(23)17-22(18)28-40-29(32(34,35)36)42-30(41-28)33(37,38)39/h3-8,10-17H,2,9H2,1H3
InChIKeyNTRHNEJCNRSZPF-UHFFFAOYSA-N
MW573.54 g/mol
LogP8.87
Rot. Bonds3

About 2-(3'-propyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-bis(trifluoromethyl)-1,3,5-triazine

2-(3'-propyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-bis(trifluoromethyl)-1,3,5-triazine (PubChem CID 91214801) has the molecular formula C33H21F6N3 and a molecular weight of 573.54 g/mol. Its IUPAC name is 2-(3'-propyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-bis(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3'-propyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-bis(trifluoromethyl)-1,3,5-triazine
PubChem CID91214801
Molecular FormulaC33H21F6N3
Molecular Weight573.54 g/mol
Exact Mass573.16
IUPAC Name2-(3'-propyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-bis(trifluoromethyl)-1,3,5-triazine
SMILESCCCc1cc2c(cc1-c1nc(C(F)(F)F)nc(C(F)(F)F)n1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C33H21F6N3/c1-2-9-18-16-23-21-12-5-8-15-26(21)31(24-13-6-3-10-19(24)20-11-4-7-14-25(20)31)27(23)17-22(18)28-40-29(32(34,35)36)42-30(41-28)33(37,38)39/h3-8,10-17H,2,9H2,1H3
InChIKeyNTRHNEJCNRSZPF-UHFFFAOYSA-N
XLogP8.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.54
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3'-(9,9-dimethyl-9H-fluoren-2-yl)-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 121450606
2,4,6-Tris(2,4-dimethylphenyl)-1,3,5-triazine
CID 22475988
6,6'-((Perfluoropropane-2,2-diyl)bis(4,1-phenylene))bis(2,4-diphenyl-1,3,5-triazine)
CID 139500797
2-(9,9'-Spirobi[fluoren]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 58233367
2,7-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)9,9'-spirobi[fluorene]
CID 58827727
2,4-Bis(3-anthracen-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 101520682
2,4-Diphenyl-6-[3-(2-triphenylenyl)phenyl]-1,3,5-triazine
CID 118014055
2,4-Diphenyl-6-[4'-(2-triphenylenyl)[1,1'-biphenyl]-3-yl]-1,3,5-triazine
CID 118487435
2-Chloro-4-(9,9-diethyl-9h-fluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 125480095
2-[4-[1,1-Bis(4-fluorophenyl)inden-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 58233419
2,4-Bis(2,3,4,5,6-pentafluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 58273796
2,4-Bis(4-fluorophenyl)-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine
CID 58273797

Frequently Asked Questions

What is the IUPAC name of 2-(3'-propyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-bis(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2-(3'-propyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-bis(trifluoromethyl)-1,3,5-triazine (CID 91214801) is 2-(3'-propyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-bis(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3'-propyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-bis(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2-(3'-propyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-bis(trifluoromethyl)-1,3,5-triazine is CCCc1cc2c(cc1-c1nc(C(F)(F)F)nc(C(F)(F)F)n1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 2-(3'-propyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-bis(trifluoromethyl)-1,3,5-triazine?
The InChIKey is NTRHNEJCNRSZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21F6N3/c1-2-9-18-16-23-21-12-5-8-15-26(21)31(24-13-6-3-10-19(24)20-11-4-7-14-25(20)31)27(23)17-22(18)28-40-29(32(34,35)36)42-30(41-28)33(37,38)39/h3-8,10-17H,2,9H2,1H3.
What are the key properties of 2-(3'-propyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-bis(trifluoromethyl)-1,3,5-triazine?
2-(3'-propyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-bis(trifluoromethyl)-1,3,5-triazine has a molecular weight of 573.54 g/mol, XLogP of 8.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3'-propyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-bis(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 91214801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).