2',9'-Di(trifluoromethyl)-10,10''-diphenyldispiro[acridine-9(10H),7'(12'H)-indeno[1,2-a]fluorene-12',9''(10''H)-acridine]

C58H34F6N2 — CID 122379417

IUPAC—
SMILESFC(F)(F)c1ccc2c(c1)C1(c3ccccc3N(c3ccccc3)c3ccccc31)c1ccc3c(c1-2)C1(c2cc(C(F)(F)F)ccc2-3)c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C58H34F6N2/c59-57(60,61)35-27-29-39-40-31-32-46-53(54(40)56(47(39)33-35)44-21-9-13-25-51(44)66(38-17-5-2-6-18-38)52-26-14-10-22-45(52)56)41-30-28-36(58(62,63)64)34-48(41)55(46)42-19-7-11-23-49(42)65(37-15-3-1-4-16-37)50-24-12-8-20-43(50)55/h1-34H
InChIKeyWLVAIBSJAFQSIA-UHFFFAOYSA-N
MW872.91 g/mol
LogP16.02
Rot. Bonds2

About 2',9'-Di(trifluoromethyl)-10,10''-diphenyldispiro[acridine-9(10H),7'(12'H)-indeno[1,2-a]fluorene-12',9''(10''H)-acridine]

2',9'-Di(trifluoromethyl)-10,10''-diphenyldispiro[acridine-9(10H),7'(12'H)-indeno[1,2-a]fluorene-12',9''(10''H)-acridine] (PubChem CID 122379417) has the molecular formula C58H34F6N2 and a molecular weight of 872.91 g/mol.

Molecular Properties

Compound Name2',9'-Di(trifluoromethyl)-10,10''-diphenyldispiro[acridine-9(10H),7'(12'H)-indeno[1,2-a]fluorene-12',9''(10''H)-acridine]
PubChem CID122379417
Molecular FormulaC58H34F6N2
Molecular Weight872.91 g/mol
Exact Mass872.26
IUPAC Name—
SMILESFC(F)(F)c1ccc2c(c1)C1(c3ccccc3N(c3ccccc3)c3ccccc31)c1ccc3c(c1-2)C1(c2cc(C(F)(F)F)ccc2-3)c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C58H34F6N2/c59-57(60,61)35-27-29-39-40-31-32-46-53(54(40)56(47(39)33-35)44-21-9-13-25-51(44)66(38-17-5-2-6-18-38)52-26-14-10-22-45(52)56)41-30-28-36(58(62,63)64)34-48(41)55(46)42-19-7-11-23-49(42)65(37-15-3-1-4-16-37)50-24-12-8-20-43(50)55/h1-34H
InChIKeyWLVAIBSJAFQSIA-UHFFFAOYSA-N
XLogP16.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.91
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2',9'-Di(trifluoromethyl)-10,10''-diphenyldispiro[acridine-9(10H),7'(12'H)-indeno[1,2-a]fluorene-12',9''(10''H)-acridine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2',9'-Di(trifluoromethyl)-10,10''-diphenyldispiro[acridine-9(10H),7'(12'H)-indeno[1,2-a]fluorene-12',9''(10''H)-acridine]?
The IUPAC name of 2',9'-Di(trifluoromethyl)-10,10''-diphenyldispiro[acridine-9(10H),7'(12'H)-indeno[1,2-a]fluorene-12',9''(10''H)-acridine] (CID 122379417) is not available.
What is the SMILES notation for 2',9'-Di(trifluoromethyl)-10,10''-diphenyldispiro[acridine-9(10H),7'(12'H)-indeno[1,2-a]fluorene-12',9''(10''H)-acridine]?
The canonical SMILES for 2',9'-Di(trifluoromethyl)-10,10''-diphenyldispiro[acridine-9(10H),7'(12'H)-indeno[1,2-a]fluorene-12',9''(10''H)-acridine] is FC(F)(F)c1ccc2c(c1)C1(c3ccccc3N(c3ccccc3)c3ccccc31)c1ccc3c(c1-2)C1(c2cc(C(F)(F)F)ccc2-3)c2ccccc2N(c2ccccc2)c2ccccc21.
What is the InChIKey of 2',9'-Di(trifluoromethyl)-10,10''-diphenyldispiro[acridine-9(10H),7'(12'H)-indeno[1,2-a]fluorene-12',9''(10''H)-acridine]?
The InChIKey is WLVAIBSJAFQSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34F6N2/c59-57(60,61)35-27-29-39-40-31-32-46-53(54(40)56(47(39)33-35)44-21-9-13-25-51(44)66(38-17-5-2-6-18-38)52-26-14-10-22-45(52)56)41-30-28-36(58(62,63)64)34-48(41)55(46)42-19-7-11-23-49(42)65(37-15-3-1-4-16-37)50-24-12-8-20-43(50)55/h1-34H.
What are the key properties of 2',9'-Di(trifluoromethyl)-10,10''-diphenyldispiro[acridine-9(10H),7'(12'H)-indeno[1,2-a]fluorene-12',9''(10''H)-acridine]?
2',9'-Di(trifluoromethyl)-10,10''-diphenyldispiro[acridine-9(10H),7'(12'H)-indeno[1,2-a]fluorene-12',9''(10''H)-acridine] has a molecular weight of 872.91 g/mol, XLogP of 16.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',9'-Di(trifluoromethyl)-10,10''-diphenyldispiro[acridine-9(10H),7'(12'H)-indeno[1,2-a]fluorene-12',9''(10''H)-acridine] is sourced from PubChem (CID 122379417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).