2,8-dimethyl-6,6,12,12-tetrakis[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene

C50H30F12 — CID 58607551

IUPAC2,8-dimethyl-6,6,12,12-tetrakis[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene
SMILESCc1ccc2c(c1)C(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)c1cc3c(cc1-2)C(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)c1cc(C)ccc1-3
InChIInChI=1S/C50H30F12/c1-27-3-21-37-39-25-44-40(26-43(39)45(41(37)23-27,29-5-13-33(14-6-29)47(51,52)53)30-7-15-34(16-8-30)48(54,55)56)38-22-4-28(2)24-42(38)46(44,31-9-17-35(18-10-31)49(57,58)59)32-11-19-36(20-12-32)50(60,61)62/h3-26H,1-2H3
InChIKeyZZGONMDSCFOGQB-UHFFFAOYSA-N
MW858.77 g/mol
LogP15.10
Rot. Bonds4

About 2,8-dimethyl-6,6,12,12-tetrakis[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene

2,8-dimethyl-6,6,12,12-tetrakis[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene (PubChem CID 58607551) has the molecular formula C50H30F12 and a molecular weight of 858.77 g/mol. Its IUPAC name is 2,8-dimethyl-6,6,12,12-tetrakis[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene.

Molecular Properties

Compound Name2,8-dimethyl-6,6,12,12-tetrakis[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene
PubChem CID58607551
Molecular FormulaC50H30F12
Molecular Weight858.77 g/mol
Exact Mass858.22
IUPAC Name2,8-dimethyl-6,6,12,12-tetrakis[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene
SMILESCc1ccc2c(c1)C(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)c1cc3c(cc1-2)C(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)c1cc(C)ccc1-3
InChIInChI=1S/C50H30F12/c1-27-3-21-37-39-25-44-40(26-43(39)45(41(37)23-27,29-5-13-33(14-6-29)47(51,52)53)30-7-15-34(16-8-30)48(54,55)56)38-22-4-28(2)24-42(38)46(44,31-9-17-35(18-10-31)49(57,58)59)32-11-19-36(20-12-32)50(60,61)62/h3-26H,1-2H3
InChIKeyZZGONMDSCFOGQB-UHFFFAOYSA-N
XLogP15.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.77
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-6,6,12,12-tetrakis[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene?
The IUPAC name of 2,8-dimethyl-6,6,12,12-tetrakis[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene (CID 58607551) is 2,8-dimethyl-6,6,12,12-tetrakis[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene.
What is the SMILES notation for 2,8-dimethyl-6,6,12,12-tetrakis[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene?
The canonical SMILES for 2,8-dimethyl-6,6,12,12-tetrakis[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene is Cc1ccc2c(c1)C(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)c1cc3c(cc1-2)C(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)c1cc(C)ccc1-3.
What is the InChIKey of 2,8-dimethyl-6,6,12,12-tetrakis[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene?
The InChIKey is ZZGONMDSCFOGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30F12/c1-27-3-21-37-39-25-44-40(26-43(39)45(41(37)23-27,29-5-13-33(14-6-29)47(51,52)53)30-7-15-34(16-8-30)48(54,55)56)38-22-4-28(2)24-42(38)46(44,31-9-17-35(18-10-31)49(57,58)59)32-11-19-36(20-12-32)50(60,61)62/h3-26H,1-2H3.
What are the key properties of 2,8-dimethyl-6,6,12,12-tetrakis[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene?
2,8-dimethyl-6,6,12,12-tetrakis[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene has a molecular weight of 858.77 g/mol, XLogP of 15.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-6,6,12,12-tetrakis[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene is sourced from PubChem (CID 58607551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).