[11-(2-ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone

C169H165F9N4O12 — CID 164964607

IUPAC[11-(2-ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
SMILESCCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3cc(OC)ccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3cc(OC)ccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3F)cc2c2cc(C(=O)c3ccccc3F)c3ccccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3OCC(F)(F)C(F)F)cc2c2cc(C(=O)c3ccccc3OCC(F)(F)C(C)F)c3ccccc3c21
InChIInChI=1S/C45H42F7NO4.2C43H45NO3.C38H33F2NO2/c1-4-6-13-28(5-2)24-53-37-21-20-29(41(54)32-16-9-11-18-38(32)57-26-45(51,52)43(47)48)22-34(37)35-23-36(30-14-7-8-15-31(30)40(35)53)42(55)33-17-10-12-19-39(33)56-25-44(49,50)27(3)46;2*1-8-10-14-30(9-2)25-44-39-19-16-31(42(45)33-15-12-11-13-27(33)4)22-36(39)37-24-38(35-23-32(47-7)17-18-34(35)41(37)44)43(46)40-28(5)20-26(3)21-29(40)6;1-3-5-12-24(4-2)23-41-35-20-19-25(37(42)28-15-8-10-17-33(28)39)21-30(35)31-22-32(26-13-6-7-14-27(26)36(31)41)38(43)29-16-9-11-18-34(29)40/h7-12,14-23,27-28,43H,4-6,13,24-26H2,1-3H3;2*11-13,15-24,30H,8-10,14,25H2,1-7H3;6-11,13-22,24H,3-5,12,23H2,1-2H3
InChIKeyCHPPCYLYSXVOJI-UHFFFAOYSA-N
MW2615.18 g/mol
LogP43.92
Rot. Bonds50

About [11-(2-ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone

[11-(2-ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone (PubChem CID 164964607) has the molecular formula C169H165F9N4O12 and a molecular weight of 2615.18 g/mol. Its IUPAC name is [11-(2-ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone.

Molecular Properties

Compound Name[11-(2-ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
PubChem CID164964607
Molecular FormulaC169H165F9N4O12
Molecular Weight2615.18 g/mol
Exact Mass2613.23
IUPAC Name[11-(2-ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
SMILESCCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3cc(OC)ccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3cc(OC)ccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3F)cc2c2cc(C(=O)c3ccccc3F)c3ccccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3OCC(F)(F)C(F)F)cc2c2cc(C(=O)c3ccccc3OCC(F)(F)C(C)F)c3ccccc3c21
InChIInChI=1S/C45H42F7NO4.2C43H45NO3.C38H33F2NO2/c1-4-6-13-28(5-2)24-53-37-21-20-29(41(54)32-16-9-11-18-38(32)57-26-45(51,52)43(47)48)22-34(37)35-23-36(30-14-7-8-15-31(30)40(35)53)42(55)33-17-10-12-19-39(33)56-25-44(49,50)27(3)46;2*1-8-10-14-30(9-2)25-44-39-19-16-31(42(45)33-15-12-11-13-27(33)4)22-36(39)37-24-38(35-23-32(47-7)17-18-34(35)41(37)44)43(46)40-28(5)20-26(3)21-29(40)6;1-3-5-12-24(4-2)23-41-35-20-19-25(37(42)28-15-8-10-17-33(28)39)21-30(35)31-22-32(26-13-6-7-14-27(26)36(31)41)38(43)29-16-9-11-18-34(29)40/h7-12,14-23,27-28,43H,4-6,13,24-26H2,1-3H3;2*11-13,15-24,30H,8-10,14,25H2,1-7H3;6-11,13-22,24H,3-5,12,23H2,1-2H3
InChIKeyCHPPCYLYSXVOJI-UHFFFAOYSA-N
XLogP43.92
TPSA193.20 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds50
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002615.18
LogP ≤ 543.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [11-(2-ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [11-(2-ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
The IUPAC name of [11-(2-ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone (CID 164964607) is [11-(2-ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone.
What is the SMILES notation for [11-(2-ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
The canonical SMILES for [11-(2-ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone is CCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3cc(OC)ccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3cc(OC)ccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3F)cc2c2cc(C(=O)c3ccccc3F)c3ccccc3c21.CCCCC(CC)Cn1c2ccc(C(=O)c3ccccc3OCC(F)(F)C(F)F)cc2c2cc(C(=O)c3ccccc3OCC(F)(F)C(C)F)c3ccccc3c21.
What is the InChIKey of [11-(2-ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
The InChIKey is CHPPCYLYSXVOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42F7NO4.2C43H45NO3.C38H33F2NO2/c1-4-6-13-28(5-2)24-53-37-21-20-29(41(54)32-16-9-11-18-38(32)57-26-45(51,52)43(47)48)22-34(37)35-23-36(30-14-7-8-15-31(30)40(35)53)42(55)33-17-10-12-19-39(33)56-25-44(49,50)27(3)46;2*1-8-10-14-30(9-2)25-44-39-19-16-31(42(45)33-15-12-11-13-27(33)4)22-36(39)37-24-38(35-23-32(47-7)17-18-34(35)41(37)44)43(46)40-28(5)20-26(3)21-29(40)6;1-3-5-12-24(4-2)23-41-35-20-19-25(37(42)28-15-8-10-17-33(28)39)21-30(35)31-22-32(26-13-6-7-14-27(26)36(31)41)38(43)29-16-9-11-18-34(29)40/h7-12,14-23,27-28,43H,4-6,13,24-26H2,1-3H3;2*11-13,15-24,30H,8-10,14,25H2,1-7H3;6-11,13-22,24H,3-5,12,23H2,1-2H3.
What are the key properties of [11-(2-ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
[11-(2-ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone has a molecular weight of 2615.18 g/mol, XLogP of 43.92, 50 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [11-(2-ethylhexyl)-5-(2-fluorobenzoyl)benzo[a]carbazol-8-yl]-(2-fluorophenyl)methanone;bis([11-(2-ethylhexyl)-3-methoxy-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methanone);[11-(2-ethylhexyl)-5-[2-(2,2,3-trifluorobutoxy)benzoyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone is sourced from PubChem (CID 164964607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).