2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]anthracene-9,10-dione

C42H18F12N2O2 — CID 142301717

IUPAC2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]anthracene-9,10-dione
SMILESO=C1c2ccc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)cc2C(=O)c2ccc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)cc21
InChIInChI=1S/C42H18F12N2O2/c43-39(44,45)19-1-7-25-26-8-2-20(40(46,47)48)14-34(26)55(33(25)13-19)23-5-11-29-31(17-23)37(57)30-12-6-24(18-32(30)38(29)58)56-35-15-21(41(49,50)51)3-9-27(35)28-10-4-22(16-36(28)56)42(52,53)54/h1-18H
InChIKeyINWYUXJEBLZCDS-UHFFFAOYSA-N
MW810.59 g/mol
LogP12.73
Rot. Bonds2

About 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]anthracene-9,10-dione

2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]anthracene-9,10-dione (PubChem CID 142301717) has the molecular formula C42H18F12N2O2 and a molecular weight of 810.59 g/mol. Its IUPAC name is 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]anthracene-9,10-dione.

Molecular Properties

Compound Name2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]anthracene-9,10-dione
PubChem CID142301717
Molecular FormulaC42H18F12N2O2
Molecular Weight810.59 g/mol
Exact Mass810.12
IUPAC Name2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]anthracene-9,10-dione
SMILESO=C1c2ccc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)cc2C(=O)c2ccc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)cc21
InChIInChI=1S/C42H18F12N2O2/c43-39(44,45)19-1-7-25-26-8-2-20(40(46,47)48)14-34(26)55(33(25)13-19)23-5-11-29-31(17-23)37(57)30-12-6-24(18-32(30)38(29)58)56-35-15-21(41(49,50)51)3-9-27(35)28-10-4-22(16-36(28)56)42(52,53)54/h1-18H
InChIKeyINWYUXJEBLZCDS-UHFFFAOYSA-N
XLogP12.73
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.59
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]anthracene-9,10-dione with MolForge

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Related Compounds

Vat Brown 1
CID 62448
Dinaphtho(2,3-i:2',3'-i')benzo(1,2-a:4,5-a')dicarbazole-5,7,12,17,19,24(6H,18H)-hexone
CID 75113
Flavanthrone
CID 68059
EG-018
CID 118796466
3,13-Diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20,23-decaene-12,14-dione
CID 9797847
3,13-Diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione
CID 16105510
EG-2201
CID 118796499
(9-Ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 56651693
5H-Dibenzo[2,3:10,11]piceno[12,13,14,1-bcdefgh]carbazole-5,10(16H)-dione
CID 3085534
3,13-Diazahexacyclo[14.8.0.02,10.04,9.011,15.019,24]tetracosa-1(16),2(10),4,6,8,11(15),17,19,21,23-decaene-12,14-dione
CID 12112530
3,13-Diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),17(22),23-octaene-12,14-dione
CID 44349741
11-Phenyl-1H-benzo[a]carbazole-1,4(11H)-dione
CID 369537

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]anthracene-9,10-dione?
The IUPAC name of 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]anthracene-9,10-dione (CID 142301717) is 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]anthracene-9,10-dione.
What is the SMILES notation for 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]anthracene-9,10-dione?
The canonical SMILES for 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]anthracene-9,10-dione is O=C1c2ccc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)cc2C(=O)c2ccc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)cc21.
What is the InChIKey of 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]anthracene-9,10-dione?
The InChIKey is INWYUXJEBLZCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H18F12N2O2/c43-39(44,45)19-1-7-25-26-8-2-20(40(46,47)48)14-34(26)55(33(25)13-19)23-5-11-29-31(17-23)37(57)30-12-6-24(18-32(30)38(29)58)56-35-15-21(41(49,50)51)3-9-27(35)28-10-4-22(16-36(28)56)42(52,53)54/h1-18H.
What are the key properties of 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]anthracene-9,10-dione?
2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]anthracene-9,10-dione has a molecular weight of 810.59 g/mol, XLogP of 12.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]anthracene-9,10-dione is sourced from PubChem (CID 142301717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).