6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene

C38H28F6O2 — CID 88552406

IUPAC6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene
SMILESFC(F)(F)OCCC1(CCOC(F)(F)F)c2ccccc2-c2cc3c(cc21)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H28F6O2/c39-37(40,41)45-21-19-35(20-22-46-38(42,43)44)31-17-9-7-15-27(31)29-24-34-30(23-33(29)35)28-16-8-10-18-32(28)36(34,25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-18,23-24H,19-22H2
InChIKeyXXLDBMXHZWNUEC-UHFFFAOYSA-N
MW630.63 g/mol
LogP10.17
Rot. Bonds8

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

6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene (PubChem CID 88552406) has the molecular formula C38H28F6O2 and a molecular weight of 630.63 g/mol. Its IUPAC name is 6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene.

Molecular Properties

Compound Name6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene
PubChem CID88552406
Molecular FormulaC38H28F6O2
Molecular Weight630.63 g/mol
Exact Mass630.20
IUPAC Name6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene
SMILESFC(F)(F)OCCC1(CCOC(F)(F)F)c2ccccc2-c2cc3c(cc21)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H28F6O2/c39-37(40,41)45-21-19-35(20-22-46-38(42,43)44)31-17-9-7-15-27(31)29-24-34-30(23-33(29)35)28-16-8-10-18-32(28)36(34,25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-18,23-24H,19-22H2
InChIKeyXXLDBMXHZWNUEC-UHFFFAOYSA-N
XLogP10.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.63
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene with MolForge

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Related Compounds

2,8-Dimethyl-6,6,12,12-tetrakis[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene
CID 58607551
6-Butyl-12-ethyl-6-propyl-12-[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene
CID 68010435
11-Methyl-12,12-diphenyl-11-[2-(trifluoromethoxy)ethyl]indeno[2,1-a]fluorene
CID 68010436
11-[2-(1,1-Difluoropropoxy)ethyl]-11-methyl-12,12-diphenylindeno[2,1-a]fluorene
CID 68010442
6-Butyl-12-ethyl-4-methyl-6-propyl-12-[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene
CID 68018118
5-Methyl-7-pentyl-7-[3-(trifluoromethoxy)propyl]benzo[c]fluorene
CID 68018124
3,18-Dimethyl-14-phenyl-24-[2-(trifluoromethoxy)ethyl]hexacyclo[12.9.2.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 68018158
2',6-Dimethyl-2-(trifluoromethoxymethyl)-9,9'-spirobi[fluorene]
CID 68018161
8-[2-(1,1-Difluoropropoxy)ethyl]-15-phenylheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9,11,13,16,18,20,22(26),23-dodecaene
CID 70810027
6,6-Diphenyl-12,12-bis(4,4,4-trifluorobutyl)indeno[1,2-b]fluorene
CID 88552399
2-[7-(1,3,2-Dioxaborolan-2-yl)-2',7'-bis[4-(trifluoromethoxy)butyl]-9,9'-spirobi[fluorene]-2-yl]-1,3,2-dioxaborolane
CID 88552421
4-Methyl-6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene
CID 88557700

Frequently Asked Questions

What is the IUPAC name of 6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene?
The IUPAC name of 6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene (CID 88552406) is 6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene.
What is the SMILES notation for 6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene?
The canonical SMILES for 6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene is FC(F)(F)OCCC1(CCOC(F)(F)F)c2ccccc2-c2cc3c(cc21)-c1ccccc1C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene?
The InChIKey is XXLDBMXHZWNUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28F6O2/c39-37(40,41)45-21-19-35(20-22-46-38(42,43)44)31-17-9-7-15-27(31)29-24-34-30(23-33(29)35)28-16-8-10-18-32(28)36(34,25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-18,23-24H,19-22H2.
What are the key properties of 6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene?
6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene has a molecular weight of 630.63 g/mol, XLogP of 10.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene is sourced from PubChem (CID 88552406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).