2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione

C34H19F3O2 — CID 58518204

IUPAC2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione
SMILESCc1ccc(-c2ccc3c(c2)c(=O)c2cc4c(=O)c5cc(-c6ccc(C(F)(F)F)cc6)ccc5c4cc23)cc1
InChIInChI=1S/C34H19F3O2/c1-18-2-4-19(5-3-18)21-8-12-24-26-16-27-25-13-9-22(20-6-10-23(11-7-20)34(35,36)37)15-29(25)33(39)31(27)17-30(26)32(38)28(24)14-21/h2-17H,1H3
InChIKeyJCXXOMCPYVEKJQ-UHFFFAOYSA-N
MW516.52 g/mol
LogP8.56
Rot. Bonds2

About 2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione

2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione (PubChem CID 58518204) has the molecular formula C34H19F3O2 and a molecular weight of 516.52 g/mol. Its IUPAC name is 2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione.

Molecular Properties

Compound Name2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione
PubChem CID58518204
Molecular FormulaC34H19F3O2
Molecular Weight516.52 g/mol
Exact Mass516.13
IUPAC Name2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione
SMILESCc1ccc(-c2ccc3c(c2)c(=O)c2cc4c(=O)c5cc(-c6ccc(C(F)(F)F)cc6)ccc5c4cc23)cc1
InChIInChI=1S/C34H19F3O2/c1-18-2-4-19(5-3-18)21-8-12-24-26-16-27-25-13-9-22(20-6-10-23(11-7-20)34(35,36)37)15-29(25)33(39)31(27)17-30(26)32(38)28(24)14-21/h2-17H,1H3
InChIKeyJCXXOMCPYVEKJQ-UHFFFAOYSA-N
XLogP8.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.52
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]picene
CID 58426560
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
[6-cyanoimino-8-methyl-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 162567490
8,31-bis(4-tert-butylphenyl)-14,25-bis(4-methylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1(32),2(20),3,5(19),6,8,10(34),11(16),12,14,17,21,23(28),24,26,29(33),30-heptadecaene
CID 58402086
7-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-b][1]benzothiole
CID 58121720
2-methyl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 162565704
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
8,31-dimethyl-13,26-bis(4-methylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene
CID 58402072
23-(2,6-diphenyl-4-pyridinyl)-19-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 121345617
2-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]cyclohexa-2,5-diene-1,4-dione
CID 118119510
3-chloro-6-(4-methylphenyl)-12-[4-(trifluoromethyl)phenyl]chrysene
CID 58501237
2-bis(4-methylphenyl)phosphoryl-7-bis[4-(trifluoromethyl)phenyl]phosphorylphenanthrene
CID 88865175

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione?
The IUPAC name of 2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione (CID 58518204) is 2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione.
What is the SMILES notation for 2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione?
The canonical SMILES for 2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione is Cc1ccc(-c2ccc3c(c2)c(=O)c2cc4c(=O)c5cc(-c6ccc(C(F)(F)F)cc6)ccc5c4cc23)cc1.
What is the InChIKey of 2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione?
The InChIKey is JCXXOMCPYVEKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19F3O2/c1-18-2-4-19(5-3-18)21-8-12-24-26-16-27-25-13-9-22(20-6-10-23(11-7-20)34(35,36)37)15-29(25)33(39)31(27)17-30(26)32(38)28(24)14-21/h2-17H,1H3.
What are the key properties of 2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione?
2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione has a molecular weight of 516.52 g/mol, XLogP of 8.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-dione is sourced from PubChem (CID 58518204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).