6,6-diphenyl-12,12-bis(4,4,4-trifluorobutyl)indeno[1,2-b]fluorene

C40H32F6 — CID 88552399

IUPAC6,6-diphenyl-12,12-bis(4,4,4-trifluorobutyl)indeno[1,2-b]fluorene
SMILESFC(F)(F)CCCC1(CCCC(F)(F)F)c2ccccc2-c2cc3c(cc21)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H32F6/c41-38(42,43)23-11-21-37(22-12-24-39(44,45)46)33-19-9-7-17-29(33)31-26-36-32(25-35(31)37)30-18-8-10-20-34(30)40(36,27-13-3-1-4-14-27)28-15-5-2-6-16-28/h1-10,13-20,25-26H,11-12,21-24H2
InChIKeyJQSHIJNOOYDCJZ-UHFFFAOYSA-N
MW626.68 g/mol
LogP11.78
Rot. Bonds8

About 6,6-diphenyl-12,12-bis(4,4,4-trifluorobutyl)indeno[1,2-b]fluorene

6,6-diphenyl-12,12-bis(4,4,4-trifluorobutyl)indeno[1,2-b]fluorene (PubChem CID 88552399) has the molecular formula C40H32F6 and a molecular weight of 626.68 g/mol. Its IUPAC name is 6,6-diphenyl-12,12-bis(4,4,4-trifluorobutyl)indeno[1,2-b]fluorene.

Molecular Properties

Compound Name6,6-diphenyl-12,12-bis(4,4,4-trifluorobutyl)indeno[1,2-b]fluorene
PubChem CID88552399
Molecular FormulaC40H32F6
Molecular Weight626.68 g/mol
Exact Mass626.24
IUPAC Name6,6-diphenyl-12,12-bis(4,4,4-trifluorobutyl)indeno[1,2-b]fluorene
SMILESFC(F)(F)CCCC1(CCCC(F)(F)F)c2ccccc2-c2cc3c(cc21)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H32F6/c41-38(42,43)23-11-21-37(22-12-24-39(44,45)46)33-19-9-7-17-29(33)31-26-36-32(25-35(31)37)30-18-8-10-20-34(30)40(36,27-13-3-1-4-14-27)28-15-5-2-6-16-28/h1-10,13-20,25-26H,11-12,21-24H2
InChIKeyJQSHIJNOOYDCJZ-UHFFFAOYSA-N
XLogP11.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.68
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 11309256
Truxene
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2,2'':7'',2''''-Ter-9,9'-spirobi(9H-fluorene)
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(7E)-7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene
CID 5713154
9,9'-Spirobi(9H-fluorene)
CID 135975
2,2'-Bi-9H-fluorene
CID 12530632
Isotruxene
CID 519436
2,2',7,7'-Tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]
CID 16158722
(6S,13R,20R,27S)-2,2,3,3,16,16,17,17-octafluorononacyclo[16.10.2.24,15.26,13.220,27.05,14.07,12.019,28.021,26]hexatriaconta-1(28),4,7,9,11,14,18,21,23,25,29,31,33,35-tetradecaene
CID 10963069

Frequently Asked Questions

What is the IUPAC name of 6,6-diphenyl-12,12-bis(4,4,4-trifluorobutyl)indeno[1,2-b]fluorene?
The IUPAC name of 6,6-diphenyl-12,12-bis(4,4,4-trifluorobutyl)indeno[1,2-b]fluorene (CID 88552399) is 6,6-diphenyl-12,12-bis(4,4,4-trifluorobutyl)indeno[1,2-b]fluorene.
What is the SMILES notation for 6,6-diphenyl-12,12-bis(4,4,4-trifluorobutyl)indeno[1,2-b]fluorene?
The canonical SMILES for 6,6-diphenyl-12,12-bis(4,4,4-trifluorobutyl)indeno[1,2-b]fluorene is FC(F)(F)CCCC1(CCCC(F)(F)F)c2ccccc2-c2cc3c(cc21)-c1ccccc1C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 6,6-diphenyl-12,12-bis(4,4,4-trifluorobutyl)indeno[1,2-b]fluorene?
The InChIKey is JQSHIJNOOYDCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32F6/c41-38(42,43)23-11-21-37(22-12-24-39(44,45)46)33-19-9-7-17-29(33)31-26-36-32(25-35(31)37)30-18-8-10-20-34(30)40(36,27-13-3-1-4-14-27)28-15-5-2-6-16-28/h1-10,13-20,25-26H,11-12,21-24H2.
What are the key properties of 6,6-diphenyl-12,12-bis(4,4,4-trifluorobutyl)indeno[1,2-b]fluorene?
6,6-diphenyl-12,12-bis(4,4,4-trifluorobutyl)indeno[1,2-b]fluorene has a molecular weight of 626.68 g/mol, XLogP of 11.78, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diphenyl-12,12-bis(4,4,4-trifluorobutyl)indeno[1,2-b]fluorene is sourced from PubChem (CID 88552399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).