1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid

C38H27F3O3S — CID 158607547

IUPAC1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.c1ccc(-c2c3c(c(-c4ccccc4)c(-c4ccccc4)c2-c2ccccc2)-c2ccccc2C3)cc1
InChIInChI=1S/C37H26.CHF3O3S/c1-5-15-26(16-6-1)33-32-25-30-23-13-14-24-31(30)37(32)36(29-21-11-4-12-22-29)35(28-19-9-3-10-20-28)34(33)27-17-7-2-8-18-27;2-1(3,4)8(5,6)7/h1-24H,25H2;(H,5,6,7)
InChIKeyHWKPKEAYTOYGEZ-UHFFFAOYSA-N
MW620.69 g/mol
LogP10.32
Rot. Bonds4

About 1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid

1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid (PubChem CID 158607547) has the molecular formula C38H27F3O3S and a molecular weight of 620.69 g/mol. Its IUPAC name is 1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid
PubChem CID158607547
Molecular FormulaC38H27F3O3S
Molecular Weight620.69 g/mol
Exact Mass620.16
IUPAC Name1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.c1ccc(-c2c3c(c(-c4ccccc4)c(-c4ccccc4)c2-c2ccccc2)-c2ccccc2C3)cc1
InChIInChI=1S/C37H26.CHF3O3S/c1-5-15-26(16-6-1)33-32-25-30-23-13-14-24-31(30)37(32)36(29-21-11-4-12-22-29)35(28-19-9-3-10-20-28)34(33)27-17-7-2-8-18-27;2-1(3,4)8(5,6)7/h1-24H,25H2;(H,5,6,7)
InChIKeyHWKPKEAYTOYGEZ-UHFFFAOYSA-N
XLogP10.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.69
LogP ≤ 510.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene
CID 150980192
1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
CID 150664526
1-phenyl-9H-fluorene;4-(trifluoromethyl)benzenesulfonic acid
CID 158777181
4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene
CID 150894186
2,3-diphenyl-1-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 151214779
1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene
CID 175138481
9H-fluorene;2,2,2-trifluoroethanesulfonic acid
CID 160817133
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
4-(benzylamino)-1,3-diphenyl-9H-fluoren-2-ol
CID 174729644
2-iodo-3-(2-iodophenyl)-1,4-diphenylnaphthalene;trifluoromethanesulfonic acid
CID 162534448
1,2,3,4-tetrahydroxy-10H-anthracen-9-one
CID 91457355
3-phenyl-9H-fluoren-4-ol
CID 91456444

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid?
The IUPAC name of 1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid (CID 158607547) is 1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid.
What is the SMILES notation for 1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid?
The canonical SMILES for 1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid is O=S(=O)(O)C(F)(F)F.c1ccc(-c2c3c(c(-c4ccccc4)c(-c4ccccc4)c2-c2ccccc2)-c2ccccc2C3)cc1.
What is the InChIKey of 1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid?
The InChIKey is HWKPKEAYTOYGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26.CHF3O3S/c1-5-15-26(16-6-1)33-32-25-30-23-13-14-24-31(30)37(32)36(29-21-11-4-12-22-29)35(28-19-9-3-10-20-28)34(33)27-17-7-2-8-18-27;2-1(3,4)8(5,6)7/h1-24H,25H2;(H,5,6,7).
What are the key properties of 1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid?
1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid has a molecular weight of 620.69 g/mol, XLogP of 10.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid is sourced from PubChem (CID 158607547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).